IHTM PLAVI
Scientific Institution

Institute of Chemistry, Technology and Metallurgy
National Institute

grb BUUniversity of Belgrade

Database of biologically active compounds

Pharmacologically active ligands synthesized in the Center for Chemistry, IHTM

On this page you will find tables containing pharmacologically active compounds synthetized and tested as part of ongoing research at the Center for Chemistry, IHTM. Ligands are classified according to the receptors and species used for biological activity assays.

If you are interested in using the data presented in your research, .sdf files are available on request. Please contact Dr Jelena Randjelovic at jelena.randjelovicATihtm.bg.ac.rs for further details, or if you have any questions, comments or suggestions regarding the database itself.

Ligands tested on bovine GPCRs

  Molecule D2 Ki [nM] 5HT1A Ki [nM] 5HT2A Ki [nM] Alpha 1 Ki [nM] Reference SMILES
1 Mol 138 197 NaN NaN Arzneimittelforschung. 1997 Mar;47(3):239-43. Pharmazie. 1998 Jul;53(7):438-4 c1ccc(N2CCN(CCc3ccc4nc[nH]c4c3)CC2)cc1
2 Mol 20 130 NaN NaN Arch Pharm (Weinheim). 2001 Dec;334(12):375-80. CC(Cc1ccc2nc[nH]c2c1)N1CCN(c2ccccc2)CC1
3 Mol >1000 300 NaN NaN Arch Pharm (Weinheim). 2001 Dec;334(12):375-80. CC(CN1CCN(c2ccccc2)CC1)c1ccc2nc[nH]c2c1
4 Mol 129 71.1 NaN NaN Pharmazie. 2001 Oct;56(10):803-7. doi:10.1016/j.ejmech.2004.10.006 c1ccc(N2CCN(CCCc3ccc4nc[nH]c4c3)CC2)cc1
5 Mol 15 548 NaN NaN Arch Pharm (Weinheim). 2001 Dec;334(12):375-80. CC(Cc1ccc2nn[nH]c2c1)N1CCN(c2ccccc2)CC1
6 Mol >1000 300 NaN NaN Arch Pharm (Weinheim). 2001 Dec;334(12):375-80. CC(CN1CCN(c2ccccc2)CC1)c1ccc2nn[nH]c2c1
7 Mol >1000 >1000 NaN NaN Pharmazie. 2001 Oct;56(10):803-7. S=c1[nH]c2ccc(CN3CCN(c4ccccc4)CC3)cc2[nH]1
8 Mol 16 13 NaN NaN Arzneimittelforschung. 1997 Mar;47(3):239-43. Pharmazie. 2001 Oct;56(10):80 S=c1[nH]c2ccc(CCN3CCN(c4ccccc4)CC3)cc2[nH]1
9 Mol 5 170 NaN NaN Arch Pharm (Weinheim). 2001 Dec;334(12):375-80. CC(Cc1ccc2[nH]c(=S)[nH]c2c1)N1CCN(c2ccccc2)CC1
10 Mol 304 36 NaN NaN Arch Pharm (Weinheim). 2001 Dec;334(12):375-80. CC(CN1CCN(c2ccccc2)CC1)c1ccc2[nH]c(=S)[nH]c2c1
11 Mol 3 177 NaN NaN Pharmazie. 2001 Oct;56(10):803-7. doi:10.1016/j.ejmech.2004.10.006 S=c1[nH]c2ccc(CCCN3CCN(c4ccccc4)CC3)cc2[nH]1
12 Mol 23 25 NaN NaN Arzneimittelforschung. 1997 Mar;47(3):239-43. Pharmazie. 2001 Oct;56(10):803 O=c1[nH]c2ccc(CCN3CCN(c4ccccc4)CC3)cc2[nH]c1=O
13 Mol 6 103 NaN NaN Arch Pharm (Weinheim). 2001 Dec;334(12):375-80. CC(Cc1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CCN(c2ccccc2)CC1
14 Mol 540 58 NaN NaN Arch Pharm (Weinheim). 2001 Dec;334(12):375-80. CC(CN1CCN(c2ccccc2)CC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
15 Mol 21 93 NaN NaN Pharmazie. 2001 Oct;56(10):803-7. O=c1[nH]c2ccc(CCCN3CCN(c4ccccc4)CC3)cc2[nH]c1=O
16 Mol 473 237 NaN NaN Arzneimittelforschung. 1997 Mar;47(3):239-43. c1ccc(N2CCN(CCc3ccc4nc[nH]c4c3)CC2)nc1
17 Mol 416 71 NaN NaN Arzneimittelforschung. 1997 Mar;47(3):239-43. c1ccc(N2CCN(CCc3ccc4[nH]nnc4c3)CC2)nc1
18 Mol 128 19 NaN NaN Arzneimittelforschung. 1997 Mar;47(3):239-43. S=c1[nH]c2ccc(CCN3CCN(c4ccccn4)CC3)cc2[nH]1
19 Mol 198 30 NaN NaN Arzneimittelforschung. 1997 Mar;47(3):239-43. O=c1[nH]c2ccc(CCN3CCN(c4ccccn4)CC3)cc2[nH]c1=O
20 Mol >1000 >1000 NaN NaN Arzneimittelforschung. 1997 Mar;47(3):239-43. Pharmazie. 1998 Jul;53(7):438- c1cnc(N2CCN(CCc3ccc4nc[nH]c4c3)CC2)nc1
21 Mol >1000 >1000 NaN NaN Arzneimittelforschung. 1997 Mar;47(3):239-43. c1cnc(N2CCN(CCc3ccc4nn[nH]c4c3)CC2)nc1
22 Mol 16 134 NaN NaN Arzneimittelforschung. 1997 Mar;47(3):239-43. S=c1[nH]c2ccc(CCN3CCN(c4ncccn4)CC3)cc2[nH]1
23 Mol 16 134 (17) NaN NaN Arzneimittelforschung. 1997 Mar;47(3):239-43 Cc1cccc(N2CCN(CCc3ccc4[nH]c(=S)[nH]c4c3)CC2)c1C
24 Mol 56 13 NaN NaN Arzneimittelforschung. 1997 Mar;47(3):239-43. Cc1cccc(N2CCN(CCc3ccc4nc[nH]c4c3)CC2)c1C
25 Mol 31 4 NaN NaN Arzneimittelforschung. 1997 Mar;47(3):239-43 Cc1cccc(N2CCN(CCc3ccc4nn[nH]c4c3)CC2)c1C
26 Mol 11 4 NaN NaN Arzneimittelforschung. 1997 Mar;47(3):239-43 c1ccc2c(N3CCN(CCc4ccc5nc[nH]c5c4)CC3)cccc2c1
27 Mol 11 1 NaN NaN Arzneimittelforschung. 1997 Mar;47(3):239-43 c1ccc2c(N3CCN(CCc4ccc5nn[nH]c5c4)CC3)cccc2c1
28 Mol 3 2 NaN NaN Arzneimittelforschung. 1997 Mar;47(3):239-43 S=c1[nH]c2ccc(CCN3CCN(c4cccc5ccccc45)CC3)cc2[nH]1
29 Mol 60 10 NaN NaN 10.1002/(SICI)1521-4184(199801)331:1 3.0.CO;2-Q Pharmazie. 200 c1ccc(-c2nc3ccc(CCN4CCN(c5ccccc5)CC4)cc3[nH]2)cc1
30 Mol 64 3 NaN NaN 10.1002/(SICI)1521-4184(199801)331:1 3.0.CO;2-Q c1ccc(N2CCN(CCc3ccc4nc(-c5ccccn5)[nH]c4c3)CC2)cc1
31 Mol 11 71 NaN NaN 10.1002/(SICI)1521-4184(199801)331:1 3.0.CO;2-Q c1ccc(N2CCN(CCc3ccc4nc(-c5cccnc5)[nH]c4c3)CC2)cc1
32 Mol 157 22 NaN NaN 10.1002/(SICI)1521-4184(199801)331:1 3.0.CO;2-Q Pharmazie. 200 c1ccc(Cc2nc3ccc(CCN4CCN(c5ccccc5)CC4)cc3[nH]2)cc1
33 Mol 231 >1000 NaN NaN 10.1002/(SICI)1521-4184(199801)331:1 3.0.CO;2-Q O=[N+]([O-])c1ccc(Cc2nc3ccc(CCN4CCN(c5ccccc5)CC4)cc3[nH]2)cc1
34 Mol 47 64 NaN NaN 10.1002/(SICI)1521-4184(199801)331:1 3.0.CO;2-Q Clc1ccc(Cc2nc3ccc(CCN4CCN(c5ccccc5)CC4)cc3[nH]2)cc1
35 Mol 3 3 NaN NaN 10.1002/(SICI)1521-4184(199801)331:1 3.0.CO;2-Q c1ccc(N2CCN(CCc3ccc4nc(Cc5ccccn5)[nH]c4c3)CC2)cc1
36 Mol 52 149 NaN NaN 10.1002/(SICI)1521-4184(199801)331:1 3.0.CO;2-Q c1ccc(N2CCN(CCc3ccc4nc(Cc5cccnc5)[nH]c4c3)CC2)cc1
37 Mol 117 13 NaN NaN 10.1002/(SICI)1521-4184(199801)331:1 3.0.CO;2-Q c1ccc(CCc2nc3ccc(CCN4CCN(c5ccccc5)CC4)cc3[nH]2)cc1
38 Mol 232 481 NaN NaN 10.1002/(SICI)1521-4184(199801)331:1 3.0.CO;2-Q c1ccc(N2CCN(CCc3ccc4nc(Cc5cccc6ccccc56)[nH]c4c3)CC2)cc1
39 Mol 117 38 NaN NaN 10.1002/(SICI)1521-4184(199801)331:1 3.0.CO;2-Q c1ccc(N2CCN(CCc3ccc4nc(Cc5ccc6ccccc6c5)[nH]c4c3)CC2)cc1
40 Mol 76 4 NaN NaN 10.1002/(SICI)1521-4184(199801)331:1 3.0.CO;2-Q c1ccc(C(c2ccccc2)c2nc3ccc(CCN4CCN(c5ccccc5)CC4)cc3[nH]2)cc1
41 Mol >1000 >1000 NaN NaN 10.1002/(SICI)1521-4184(199801)331:1 3.0.CO;2-Q c1ccc(-c2ccc(Cc3nc4ccc(CCN5CCN(c6ccccc6)CC5)cc4[nH]3)cc2)cc1
42 Mol 74 84 NaN NaN Pharmazie. 2001 Oct;56(10):803-7. c1ccc(-c2nc3ccc(CCCN4CCN(c5ccccc5)CC4)cc3[nH]2)cc1
43 Mol 13 20 NaN NaN J Pharm Pharmacol. 1997 Oct;49(10):1036-41. Pharmazie. 1998 Jul;53(7):438-41 COc1ccccc1N1CCN(CCc2ccc3nc[nH]c3c2)CC1
44 Mol 18 3 NaN NaN J Pharm Pharmacol. 1997 Oct;49(10):1036-41. COc1ccccc1N1CCN(CCc2ccc3nn[nH]c3c2)CC1
45 Mol 2 3 NaN NaN J Pharm Pharmacol. 1997 Oct;49(10):1036-41. COc1ccccc1N1CCN(CCc2ccc3[nH]c(=S)[nH]c3c2)CC1
46 Mol 12 10 NaN NaN J Pharm Pharmacol. 1997 Oct;49(10):1036-41. COc1ccccc1N1CCN(CCc2ccc3[nH]c(=O)c(=O)[nH]c3c2)CC1
47 Mol >1000 332 NaN NaN J Pharm Pharmacol. 1997 Oct;49(10):1036-41. COc1ccc(N2CCN(CCc3ccc4nc[nH]c4c3)CC2)cc1
48 Mol >1000 474 NaN NaN J Pharm Pharmacol. 1997 Oct;49(10):1036-41. COc1ccc(N2CCN(CCc3ccc4nn[nH]c4c3)CC2)cc1
49 Mol 110 >1000 NaN NaN J Pharm Pharmacol. 1997 Oct;49(10):1036-41. COc1ccc(N2CCN(CCc3ccc4[nH]c(=S)[nH]c4c3)CC2)cc1
50 Mol >1000 >1000 NaN NaN J Pharm Pharmacol. 1997 Oct;49(10):1036-41. COc1ccc(N2CCN(CCc3ccc4[nH]c(=O)c(=O)[nH]c4c3)CC2)cc1
51 Mol 273 33 NaN NaN J Pharm Pharmacol. 1997 Oct;49(10):1036-41. Pharmazie. 1998 Jul;53(7):438-41 FC(F)(F)c1cccc(N2CCN(CCc3ccc4nc[nH]c4c3)CC2)c1
52 Mol 300 26 NaN NaN J Pharm Pharmacol. 1997 Oct;49(10):1036-41. FC(F)(F)c1cccc(N2CCN(CCc3ccc4nn[nH]c4c3)CC2)c1
53 Mol 134 11 NaN NaN J Pharm Pharmacol. 1997 Oct;49(10):1036-41. FC(F)(F)c1cccc(N2CCN(CCc3ccc4[nH]c(=S)[nH]c4c3)CC2)c1
54 Mol 105 8 NaN NaN J Pharm Pharmacol. 1997 Oct;49(10):1036-41. O=c1[nH]c2ccc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2[nH]c1=O
55 Mol 60 243 NaN NaN J Pharm Pharmacol. 1997 Oct;49(10):1036-41. doi:10.1016/j.ejmech.2007.0 Clc1ccccc1N1CCN(CCc2ccc3nc[nH]c3c2)CC1
56 Mol 50 38 NaN NaN J Pharm Pharmacol. 1997 Oct;49(10):1036-41. Clc1ccccc1N1CCN(CCc2ccc3nn[nH]c3c2)CC1
57 Mol 21 81 NaN NaN J Pharm Pharmacol. 1997 Oct;49(10):1036-41. S=c1[nH]c2ccc(CCN3CCN(c4ccccc4Cl)CC3)cc2[nH]1
58 Mol 20 54 NaN NaN J Pharm Pharmacol. 1997 Oct;49(10):1036-41. O=c1[nH]c2ccc(CCN3CCN(c4ccccc4Cl)CC3)cc2[nH]c1=O
59 Mol 204 31 NaN NaN J Pharm Pharmacol. 1997 Oct;49(10):1036-41. Clc1cccc(N2CCN(CCc3ccc4nc[nH]c4c3)CC2)c1
60 Mol 47 13 NaN NaN J Pharm Pharmacol. 1997 Oct;49(10):1036-41. S=c1[nH]c2ccc(CCN3CCN(c4cccc(Cl)c4)CC3)cc2[nH]1
61 Mol 268 372 NaN NaN J Pharm Pharmacol. 1997 Oct;49(10):1036-41. Clc1ccc(N2CCN(CCc3ccc4nc[nH]c4c3)CC2)cc1
62 Mol 472 115 NaN NaN J Pharm Pharmacol. 1997 Oct;49(10):1036-41. Clc1ccc(N2CCN(CCc3ccc4nn[nH]c4c3)CC2)cc1
63 Mol 32 217 NaN NaN J Pharm Pharmacol. 1997 Oct;49(10):1036-41. S=c1[nH]c2ccc(CCN3CCN(c4ccc(Cl)cc4)CC3)cc2[nH]1
64 Mol 116 54 NaN NaN J Pharm Pharmacol. 1997 Oct;49(10):1036-41. O=c1[nH]c2ccc(CCN3CCN(c4ccc(Cl)cc4)CC3)cc2[nH]c1=O
65 Mol 639 NaN NaN NaN Arzneimittelforschung. 2005;55(3):145-52 c1ccc(CN2CCN(c3ccccc3)CC2)cc1
66 Mol 580 NaN NaN NaN Arzneimittelforschung. 2005;55(3):145-52 c1ccc(CN2CCN(c3cccc4ccccc34)CC2)cc1
67 Mol 28 NaN NaN NaN Arzneimittelforschung. 2005;55(3):145-52 COc1ccccc1N1CCN(Cc2ccccc2)CC1
68 Mol 577 NaN NaN NaN Arzneimittelforschung. 2005;55(3):145-52 COc1cccc(N2CCN(Cc3ccccc3)CC2)c1
69 Mol >1000 NaN NaN NaN Arzneimittelforschung. 2005;55(3):145-52 COc1ccc(N2CCN(Cc3ccccc3)CC2)cc1
70 Mol 989 NaN NaN NaN Arzneimittelforschung. 2005;55(3):145-52 COc1ccc(CN2CCN(c3ccccc3OC)CC2)cc1
71 Mol 118 NaN NaN NaN Arzneimittelforschung. 2005;55(3):145-52 COc1ccccc1N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1
72 Mol 478 43 NaN NaN Arzneimittelforschung. 1997 Mar;47(3):239-43 doi:10.1016/j.bmcl.2012.04 c1ccc(CCN2CCN(c3ccccc3)CC2)cc1
73 Mol 37 7 NaN NaN J Pharm Pharmacol. 1997 Oct;49(10):1036-41. Arzneimittelforschung. 2005;55(3) COc1ccccc1N1CCN(CCc2ccccc2)CC1
74 Mol 132 7 NaN NaN Arzneimittelforschung. 1997 Mar;47(3):239-43 Arzneimittelforschung. 2005;55( c1ccc(CCN2CCN(c3cccc4ccccc34)CC2)cc1
75 Mol 198 NaN NaN NaN Arzneimittelforschung. 2005;55(3):145-52 O=[N+]([O-])c1ccccc1N1CCN(Cc2ccccc2)CC1
76 Mol >1000 NaN NaN NaN Arzneimittelforschung. 2005;55(3):145-52 O=[N+]([O-])c1cccc(N2CCN(Cc3ccccc3)CC2)c1
77 Mol >1000 NaN NaN NaN Arzneimittelforschung. 2005;55(3):145-52 O=[N+]([O-])c1ccc(N2CCN(Cc3ccccc3)CC2)cc1
78 Mol >1000 >1000 NaN NaN Pharmazie. 2001 Oct;56(10):803-7. Cc1nc2cc(CN3CCN(c4ccccc4)CC3)ccc2[nH]1
79 Mol 45 143 NaN NaN 10.1002/(SICI)1521-4184(199801)331:1 3.0.CO;2-Q Pharmazie. 2 Cc1nc2cc(CCN3CCN(c4ccccc4)CC3)ccc2[nH]1
80 Mol 14 8 NaN NaN Pharmazie. 1998 Jul;53(7):438-41. CSCc1nc2cc(CCN3CCN(c4ccccc4)CC3)ccc2[nH]1
81 Mol 165 >1000 NaN NaN Pharmazie. 1998 Jul;53(7):438-41. CS(=O)Cc1nc2cc(CCN3CCN(c4ccccc4)CC3)ccc2[nH]1
82 Mol >1000 >1000 NaN NaN Pharmazie. 2001 Oct;56(10):803-7. c1ccc(Cc2nc3cc(CN4CCN(c5ccccc5)CC4)ccc3[nH]2)cc1
83 Mol 113 98 NaN NaN Pharmazie. 2001 Oct;56(10):803-7. c1ccc(Cc2nc3cc(CCCN4CCN(c5ccccc5)CC4)ccc3[nH]2)cc1
84 Mol >10000 990 NaN NaN Arch Pharm (Weinheim). 2003 Nov;336(11):514-22. CCCN(CCC)CCc1ccccc1
85 Mol >10000 101 NaN NaN Arch Pharm (Weinheim). 2003 Nov;336(11):514-22. CCCN(CCc1ccccc1)CCc1ccccc1
86 Mol 867 121 NaN NaN Arch Pharm (Weinheim). 2003 Nov;336(11):514-22. CCCN(CCc1ccccc1)CCc1ccc([N+](=O)[O-])cc1
87 Mol >10000 98 NaN NaN Arch Pharm (Weinheim). 2003 Nov;336(11):514-22. CCCN(CCc1ccccc1)CCc1ccc(Cl)cc1
88 Mol >10000 110 NaN NaN Arch Pharm (Weinheim). 2003 Nov;336(11):514-22. CCCN(CCc1ccccc1)CCc1ccc(C)cc1
89 Mol >10000 >10000 NaN NaN Arch Pharm (Weinheim). 2003 Nov;336(11):514-22. CCCN(CCC)CCc1cccc2ccccc12
90 Mol >10000 532 NaN NaN Arch Pharm (Weinheim). 2003 Nov;336(11):514-22. CCCN(CCC)CCc1ccc2ccccc2c1
91 Mol 988 99 NaN NaN Arch Pharm (Weinheim). 2003 Nov;336(11):514-22. CCCN(CCc1ccccc1)CCc1cccc2ccccc12
92 Mol >10000 233 NaN NaN Arch Pharm (Weinheim). 2003 Nov;336(11):514-22. CCCN(CCc1ccccc1)CCc1ccc2ccccc2c1
93 Mol 2730 147 NaN NaN Arch Pharm (Weinheim). 2003 Nov;336(11):514-22. CCCN(CCc1cccc2ccccc12)CCc1cccc2ccccc12
94 Mol >10000 226 NaN NaN Arch Pharm (Weinheim). 2003 Nov;336(11):514-22. CCCN(CCc1ccc2ccccc2c1)CCc1cccc2ccccc12
95 Mol >10000 >10000 NaN NaN Arch Pharm (Weinheim). 2003 Nov;336(11):514-22. CCCN(CCc1ccccc1)CCc1ccc(-c2ccccc2)cc1
96 Mol >10000 465 NaN NaN Pharmazie. 1998 Jul;53(7):438-41. Arch Pharm (Weinheim). 2003 Nov;336(11):514 CCCN(CCC)CCc1ccc2[nH]cnc2c1
97 Mol 1057 126 NaN NaN Arch Pharm (Weinheim). 2003 Nov;336(11):514-22. CCCN(CCc1ccccc1)CCc1ccc2[nH]cnc2c1
98 Mol 421 160 NaN NaN Arch Pharm (Weinheim). 2003 Nov;336(11):514-22. CCCN(CCc1ccc2[nH]cnc2c1)CCc1cccc2ccccc12
99 Mol 50 NaN NaN NaN doi: 10.1002/ardp.200300846 CCCN(CCC)CCc1cc(Cl)c2[nH]c(=S)[nH]c2c1
100 Mol 200 NaN NaN NaN doi: 10.1002/ardp.200300846 CCCN(CCC)CCc1cc(Br)c2[nH]c(=S)[nH]c2c1
101 Mol 4000 NaN NaN NaN doi: 10.1002/ardp.200300846 CCCN(CCC)CCc1cc(Cl)c2[nH]cnc2c1
102 Mol >100000 NaN NaN NaN doi: 10.1002/ardp.200300846 CCCN(CCC)CCc1cc(Br)c2[nH]cnc2c1
103 Mol 300 NaN NaN NaN doi: 10.1002/ardp.200300846 CCCN(CCC)CCc1cc(Cl)c2[nH]nnc2c1
104 Mol 700 NaN NaN NaN doi: 10.1002/ardp.200300846 CCCN(CCC)CCc1cc(Br)c2[nH]nnc2c1
105 Mol 900 NaN NaN NaN doi: 10.1002/ardp.200300846 CCCN(CCC)CCc1cc(Cl)c2[nH]c(=O)c(=O)[nH]c2c1
106 Mol >100000 NaN NaN NaN doi: 10.1002/ardp.200300846 CCCN(CCC)CCc1cc(Br)c2[nH]c(=O)c(=O)[nH]c2c1
107 Mol >1000 >1000 NaN NaN doi:10.1016/j.ejmech.2004.10.006 FC(F)(F)c1cccc(N2CCN(CCCc3ccc4[nH]cnc4c3)CC2)c1
108 Mol >1000 >1000 NaN NaN doi:10.1016/j.ejmech.2004.10.006 Clc1ccc(N2CCN(CCCc3ccc4[nH]cnc4c3)CC2)cc1
109 Mol >1000 >1000 NaN NaN doi:10.1016/j.ejmech.2004.10.006 COc1ccc(N2CCN(CCCc3ccc4[nH]cnc4c3)CC2)cc1
110 Mol 97 47 NaN NaN doi:10.1016/j.ejmech.2004.10.006 COc1ccccc1N1CCN(CCCc2ccc3[nH]cnc3c2)CC1
111 Mol 3 177 NaN NaN doi:10.1016/j.ejmech.2004.10.006 S=c1[nH]c2ccc(CCCN3CCN(c4ccccc4)CC3)cc2[nH]1
112 Mol 6 >1000 NaN NaN doi:10.1016/j.ejmech.2004.10.006 FC(F)(F)c1cccc(N2CCN(CCCc3ccc4[nH]c(=S)[nH]c4c3)CC2)c1
113 Mol 20 >1000 NaN NaN doi:10.1016/j.ejmech.2004.10.006 S=c1[nH]c2ccc(CCCN3CCN(c4ccc(Cl)cc4)CC3)cc2[nH]1
114 Mol 33 >1000 NaN NaN doi:10.1016/j.ejmech.2004.10.006 COc1ccc(N2CCN(CCCc3ccc4[nH]c(=S)[nH]c4c3)CC2)cc1
115 Mol 0.4 9 NaN NaN doi:10.1016/j.ejmech.2004.10.006 COc1ccccc1N1CCN(CCCc2ccc3[nH]c(=S)[nH]c3c2)CC1
116 Mol 274 >1000 NaN NaN doi:10.1016/j.ejmech.2004.10.006 c1ccc(N2CCN(CCOc3ccc4[nH]cnc4c3)CC2)cc1
117 Mol >1000 >1000 NaN NaN doi:10.1016/j.ejmech.2004.10.006 FC(F)(F)c1cccc(N2CCN(CCOc3ccc4[nH]cnc4c3)CC2)c1
118 Mol 13 284 NaN NaN doi:10.1016/j.ejmech.2004.10.006 COc1ccccc1N1CCN(CCOc2ccc3[nH]cnc3c2)CC1
119 Mol >1000 330 NaN NaN doi:10.1016/j.ejmech.2004.10.006 COc1cccc(N2CCN(CCOc3ccc4[nH]cnc4c3)CC2)c1
120 Mol >1000 >1000 NaN NaN doi:10.1016/j.ejmech.2004.10.006 COc1ccc(N2CCN(CCOc3ccc4[nH]cnc4c3)CC2)cc1
121 Mol 0.7 >1000 NaN NaN doi:10.1016/j.ejmech.2004.10.006 S=c1[nH]c2ccc(OCCN3CCN(c4ccccc4)CC3)cc2[nH]1
122 Mol 6 >1000 NaN NaN doi:10.1016/j.ejmech.2004.10.006 FC(F)(F)c1cccc(N2CCN(CCOc3ccc4[nH]c(=S)[nH]c4c3)CC2)c1
123 Mol 0.2 308 NaN NaN doi:10.1016/j.ejmech.2004.10.006 COc1ccccc1N1CCN(CCOc2ccc3[nH]c(=S)[nH]c3c2)CC1
124 Mol 13 >1000 NaN NaN doi:10.1016/j.ejmech.2004.10.006 COc1cccc(N2CCN(CCOc3ccc4[nH]c(=S)[nH]c4c3)CC2)c1
125 Mol 105 >1000 NaN NaN doi:10.1016/j.ejmech.2004.10.006 COc1ccc(N2CCN(CCOc3ccc4[nH]c(=S)[nH]c4c3)CC2)cc1
126 Mol 3 >1000 NaN NaN doi:10.1016/j.ejmech.2004.10.006 S=c1[nH]c2ccc(OCCN3CCN(c4ccccc4Cl)CC3)cc2[nH]1
127 Mol 7 >1000 NaN NaN doi:10.1016/j.ejmech.2004.10.006 S=c1[nH]c2ccc(OCCN3CCN(c4cccc(Cl)c4)CC3)cc2[nH]1
128 Mol >1000 >1000 NaN NaN doi:10.1016/j.ejmech.2004.10.006 S=c1[nH]c2ccc(OCCN3CCN(c4ccc(Cl)cc4)CC3)cc2[nH]1
129 Mol 8 >1000 NaN NaN doi:10.1016/j.ejmech.2004.10.006 O=c1[nH]c2ccc(OCCN3CCN(c4ccccc4)CC3)cc2[nH]1
130 Mol 26 >1000 NaN NaN doi:10.1016/j.ejmech.2004.10.006 O=c1[nH]c2ccc(OCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2[nH]1
131 Mol 1 >1000 NaN NaN doi:10.1016/j.ejmech.2004.10.006 COc1ccccc1N1CCN(CCOc2ccc3[nH]c(=O)[nH]c3c2)CC1
132 Mol 45 >1000 NaN NaN doi:10.1016/j.ejmech.2004.10.006 COc1cccc(N2CCN(CCOc3ccc4[nH]c(=O)[nH]c4c3)CC2)c1
133 Mol >1000 >1000 NaN NaN doi:10.1016/j.ejmech.2004.10.006 COc1ccc(N2CCN(CCOc3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1
134 Mol >1000 >1000 NaN NaN doi:10.1016/j.ejmech.2004.10.006 O=c1[nH]c2ccc(OCCN3CCN(c4ccccc4Cl)CC3)cc2[nH]1
135 Mol 45 >1000 NaN NaN doi:10.1016/j.ejmech.2004.10.006 O=c1[nH]c2ccc(OCCN3CCN(c4cccc(Cl)c4)CC3)cc2[nH]1
136 Mol >1000 >1000 NaN NaN doi:10.1016/j.ejmech.2004.10.006 O=c1[nH]c2ccc(OCCN3CCN(c4ccc(Cl)cc4)CC3)cc2[nH]1
137 Mol >1000 >1000 NaN NaN doi:10.1016/j.ejmech.2004.10.006 c1ccc(N2CCN(CCOc3ccc4[nH]nnc4c3)CC2)cc1
138 Mol >1000 >1000 NaN NaN doi:10.1016/j.ejmech.2004.10.006 FC(F)(F)c1cccc(N2CCN(CCOc3ccc4[nH]nnc4c3)CC2)c1
139 Mol 2 >1000 NaN NaN doi:10.1016/j.ejmech.2004.10.006 COc1ccccc1N1CCN(CCOc2ccc3[nH]nnc3c2)CC1
140 Mol 85 90 NaN NaN doi:10.1016/j.ejmech.2007.09.027 Clc1cc(CCN2CCN(c3ccccc3)CC2)cc2[nH]cnc12
141 Mol 5 5 NaN NaN doi:10.1016/j.ejmech.2007.09.027 COc1ccccc1N1CCN(CCc2cc(Cl)c3nc[nH]c3c2)CC1
142 Mol 19 46 NaN NaN doi:10.1016/j.ejmech.2007.09.027 Clc1ccccc1N1CCN(CCc2cc(Cl)c3nc[nH]c3c2)CC1
143 Mol 200 21 NaN NaN doi:10.1016/j.ejmech.2007.09.027 FC(F)(F)c1cccc(N2CCN(CCc3cc(Cl)c4nc[nH]c4c3)CC2)c1
144 Mol 550 530 NaN NaN doi:10.1016/j.ejmech.2007.09.027 Clc1cc(CCN2CCN(c3ncccn3)CC2)cc2[nH]cnc12
145 Mol 62 24 NaN NaN doi:10.1016/j.ejmech.2007.09.027 Brc1cc(CCN2CCN(c3ccccc3)CC2)cc2[nH]cnc12
146 Mol 0.6 1 NaN NaN doi:10.1016/j.ejmech.2007.09.027 COc1ccccc1N1CCN(CCc2cc(Br)c3nc[nH]c3c2)CC1
147 Mol 6 0.1 NaN NaN doi:10.1016/j.ejmech.2007.09.027 Clc1ccccc1N1CCN(CCc2cc(Br)c3nc[nH]c3c2)CC1
148 Mol 15 10 NaN NaN doi:10.1016/j.ejmech.2007.09.027 FC(F)(F)c1cccc(N2CCN(CCc3cc(Br)c4nc[nH]c4c3)CC2)c1
149 Mol 26.7 129 NaN NaN doi:10.1016/j.ejmech.2007.09.027 Brc1cc(CCN2CCN(c3ncccn3)CC2)cc2[nH]cnc12
150 Mol 5 13 NaN NaN doi:10.2298/JSC0709747A S=c1[nH]c2cc(CCN3CCN(c4ccccc4)CC3)cc(Cl)c2[nH]1
151 Mol 0.05 0.4 NaN NaN doi:10.2298/JSC0709747A COc1ccccc1N1CCN(CCc2cc(Cl)c3[nH]c(=S)[nH]c3c2)CC1
152 Mol 12 36 NaN NaN doi:10.2298/JSC0709747A S=c1[nH]c2cc(CCN3CCN(c4ccccc4Cl)CC3)cc(Cl)c2[nH]1
153 Mol 45 15 33 155 doi:10.2298/JSC0709747A FC(F)(F)c1cccc(N2CCN(CCc3cc(Cl)c4[nH]c(=S)[nH]c4c3)CC2)c1
154 Mol 6 19 NaN NaN doi:10.2298/JSC0709747A S=c1[nH]c2cc(CCN3CCN(c4ccccc4)CC3)cc(Br)c2[nH]1
155 Mol 0.01 2 NaN NaN doi:10.2298/JSC0709747A COc1ccccc1N1CCN(CCc2cc(Br)c3[nH]c(=S)[nH]c3c2)CC1
156 Mol 7 76 NaN NaN doi:10.2298/JSC0709747A S=c1[nH]c2cc(CCN3CCN(c4ccccc4Cl)CC3)cc(Br)c2[nH]1
157 Mol 72 2 15 123 doi:10.2298/JSC0709747A FC(F)(F)c1cccc(N2CCN(CCc3cc(Br)c4[nH]c(=S)[nH]c4c3)CC2)c1
158 Mol 24 583 350 47 DOI 10.1002/ardp.200700062 COc1ccccc1N1CCN(CC=Cc2ccccc2)CC1
159 Mol 22 564 296 49 DOI 10.1002/ardp.200700062 COc1ccccc1N1CCN(CC=Cc2ccccc2[N+](=O)[O-])CC1
160 Mol 17 225 204 43 DOI 10.1002/ardp.200700062 COc1ccccc1N1CCN(CC=Cc2cccc([N+](=O)[O-])c2)CC1
161 Mol 66 651 788 158 DOI 10.1002/ardp.200700062 COc1ccccc1N1CCN(CC=Cc2ccc([N+](=O)[O-])cc2)CC1
162 Mol 15 181 120 33 DOI 10.1002/ardp.200700062 COc1ccccc1C=CCN1CCN(c2ccccc2OC)CC1
163 Mol 36 708 925 667 DOI 10.1002/ardp.200700062 COc1cccc(C=CCN2CCN(c3ccccc3OC)CC2)c1
164 Mol 60 583 943 80 DOI 10.1002/ardp.200700062 COc1ccc(C=CCN2CCN(c3ccccc3OC)CC2)cc1
165 Mol 32 343 597 300 DOI 10.1002/ardp.200700062 COc1ccccc1N1CCN(CC=Cc2ccccc2Cl)CC1
166 Mol 42 590 922 >1000 DOI 10.1002/ardp.200700062 COc1ccccc1N1CCN(CC=Cc2cccc(Cl)c2)CC1
167 Mol 51 588 990 >1000 DOI 10.1002/ardp.200700062 COc1ccccc1N1CCN(CC=Cc2ccc(Cl)cc2)CC1
168 Mol 27 4 N/A 8 DOI 10.1002/ardp.200700062 COc1ccccc1N1CCN(CCCc2ccccc2)CC1
169 Mol 1200 68 NaN NaN doi 10.1002/ardp.200700062 COc1ccccc1N1CCNCC1
170 Mol 95 73 NaN NaN doi: 10.1002/(SICI)1521-4184(199801)331:1 3.0.CO;2-Q FC(F)(F)c1cccc(N2CCN(CCc3ccc4[nH]c(Cc5ccccc5)nc4c3)CC2)c1
171 Mol 214 9 NaN NaN Pharmazie. 1998 Jul;53(7):438-41. CSCc1nc2cc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2[nH]1
172 Mol 482 >1000 NaN NaN Pharmazie. 1998 Jul;53(7):438-41. CS(=O)Cc1nc2cc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2[nH]1
173 Mol 3 6 NaN NaN Arch Pharm (Weinheim). 1998 Jan;331(1):22-6. COc1ccccc1N1CCN(CCc2ccc3[nH]c(Cc4ccccc4)nc3c2)CC1
174 Mol 56 388 NaN NaN Arch Pharm (Weinheim). 1998 Jan;331(1):22-6. COc1ccccc1N1CCN(CCc2ccc3[nH]c(C(c4ccccc4)c4ccccc4)nc3c2)CC1
175 Mol 15 10 NaN NaN Pharmazie. 1998 Jul;53(7):438-41. COc1ccccc1N1CCN(CCc2ccc3[nH]c(CSC)nc3c2)CC1
176 Mol 25 >1000 NaN NaN Pharmazie. 1998 Jul;53(7):438-41. COc1ccccc1N1CCN(CCc2ccc3[nH]c(CS(C)=O)nc3c2)CC1
177 Mol >10000 NaN NaN NaN Arch Pharm (Weinheim). 1997 Jan-Feb;330(1-2):25-8. c1ccc(C2CCCN(CCc3ccc4nc[nH]c4c3)C2)cc1
178 Mol 12 NaN NaN NaN Arch Pharm (Weinheim). 1997 Jan-Feb;330(1-2):25-8. S=c1[nH]c2ccc(CCN3CCCC(c4ccccc4)C3)cc2[nH]1
179 Mol 3 (12) NaN NaN NaN Arch Pharm (Weinheim). 1997 Jan-Feb;330(1-2):25-8. Boll Chim Farm. 1998 Nov;13 S=c1[nH]c2ccc(CCN3CCCC(c4ccccc4)C3)cc2[nH]1
180 Mol 622 (215) NaN NaN NaN Arch Pharm (Weinheim). 1997 Jan-Feb;330(1-2):25-8. Boll Chim Farm. 1998 Nov;1 O=c1[nH]c2ccc(CCN3CCCC(c4ccccc4)C3)cc2[nH]c1=O
181 Mol 160 NaN NaN NaN Arch Pharm (Weinheim). 1997 Jan-Feb;330(1-2):25-8. S=c1[nH]c2ccc(CCN3CCC(c4ccccc4)CC3)cc2[nH]1
182 Mol 159 NaN NaN NaN Arch Pharm (Weinheim). 1997 Jan-Feb;330(1-2):25-8. O=c1[nH]c2ccc(CCN3CCC(c4ccccc4)CC3)cc2[nH]c1=O
183 Mol 938 NaN NaN NaN Arch Pharm (Weinheim). 1997 Jan-Feb;330(1-2):25-8. c1ccc(C2CCN(CCc3ccc4[nH]cnc4c3)CC2)cc1
184 Mol >10000 NaN NaN NaN Arch Pharm (Weinheim). 1997 Jan-Feb;330(1-2):25-8. O=c1[nH]c2ccccc2n1C1CCN(CCc2ccc3[nH]c(=S)[nH]c3c2)CC1
185 Mol >10000 NaN NaN NaN Arch Pharm (Weinheim). 1997 Jan-Feb;330(1-2):25-8. O=c1[nH]c2ccc(CCN3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc2[nH]c1=O
186 Mol >10000 NaN NaN NaN Arch Pharm (Weinheim). 1997 Jan-Feb;330(1-2):25-8. O=c1[nH]c2ccccc2n1C1CCN(CCc2ccc3[nH]cnc3c2)CC1
187 Mol >10000 NaN NaN NaN Arch Pharm (Weinheim). 1997 Jan-Feb;330(1-2):25-8. O=C1NCN(c2ccccc2)C12CCN(CCc1ccc3[nH]c(=S)[nH]c3c1)CC2
188 Mol 204 NaN NaN NaN Arch Pharm (Weinheim). 1997 Jan-Feb;330(1-2):25-8. Fc1ccc(C(=C2CCN(CCc3ccc4[nH]c(=S)[nH]c4c3)CC2)c2ccc(F)cc2)cc1
189 Mol 270 NaN NaN NaN Arch Pharm (Weinheim). 1997 Jan-Feb;330(1-2):25-8. O=c1[nH]c2ccc(CCN3CCC(=C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)cc2[nH]c1=O
190 Mol 421 NaN NaN NaN Arch Pharm (Weinheim). 1997 Jan-Feb;330(1-2):25-8. Fc1ccc(C(=C2CCN(CCc3ccc4[nH]cnc4c3)CC2)c2ccc(F)cc2)cc1
191 Mol 67 NaN NaN NaN Arzneim Forsch Drug Res 46 (II) 8 741-746 1996 Arch Pharm (Weinheim). 1997 Ja CCCN(CCc1ccccc1)CCc1ccc2[nH]c(=S)[nH]c2c1
192 Mol 1050 NaN NaN NaN Arch Pharm (Weinheim). 1997 Jan-Feb;330(1-2):25-8. CCCN(CCc1ccccc1)CCc1ccc2[nH]cnc2c1
193 Mol 314 NaN NaN NaN Arch Pharm (Weinheim). 1997 Jan-Feb;330(1-2):25-8. CCCN(CCc1ccccc1)CCc1ccc2[nH]c(=O)c(=O)[nH]c2c1
194 Mol >1000 4200 NaN NaN Pharmazie. 1998 Jul;53(7):438-41. CCCN(CCC)CCc1ccc2[nH]c(CSC)nc2c1
195 Mol >1000 >1000 NaN NaN Pharmazie. 1998 Jul;53(7):438-41. CCCN(CCC)CCc1ccc2[nH]c(CS(C)=O)nc2c1
196 Mol >1000 20 NaN NaN Pharmazie. 1998 Jul;53(7):438-41. CSCc1nc2ccc(CCN3CCN(c4ncccn4)CC3)cc2[nH]1
197 Mol >1000 >1000 NaN NaN Pharmazie. 1998 Jul;53(7):438-41. CS(=O)Cc1nc2ccc(CCN3CCN(c4ncccn4)CC3)cc2[nH]1
198 Mol 60 >10000 NaN NaN Boll Chim Farm. 1998 Nov;137(10):417-21 S=c1[nH]c2ccc(CCN3CCCC(c4cccc5ccccc45)C3)cc2[nH]1
199 Mol 219 >10000 NaN NaN Boll Chim Farm. 1998 Nov;137(10):417-21 O=c1[nH]c2ccc(CCN3CCCC(c4cccc5ccccc45)C3)cc2[nH]c1=O
200 Mol 497 >10000 NaN NaN Boll Chim Farm. 1998 Nov;137(10):417-21 ClC(Cl)c1nc2cc(CCN3CCCC(c4cccc5ccccc45)C3)ccc2[nH]1
201 Mol 563 >10000 NaN NaN Boll Chim Farm. 1998 Nov;137(10):417-21 BrC(Br)c1nc2cc(CCN3CCCC(c4cccc5ccccc45)C3)ccc2[nH]1
202 Mol 49 >10000 NaN NaN Boll Chim Farm. 1998 Nov;137(10):417-21 Oc1ccccc1C1CCCN(CCc2ccc3[nH]c(=S)[nH]c3c2)C1
203 Mol 476 >10000 NaN NaN Boll Chim Farm. 1998 Nov;137(10):417-21 O=c1[nH]c2ccc(CCN3CCCC(c4ccccc4O)C3)cc2[nH]c1=O

Ligands tested on human GPCRs

  Molecule D2 Ki [nM] 5HT1A Ki [nM] Reference SMILES
1 Mol 135 NaN doi:10.1016/j.ejphar.2012.03.011 c1ccc(N2CCN(CCOc3ccc4[nH]cnc4c3)CC2)cc1
2 Mol 137 NaN doi:10.1016/j.ejphar.2012.03.011 FC(F)(F)c1cccc(N2CCN(CCOc3ccc4[nH]cnc4c3)CC2)c1
3 Mol 64 NaN doi:10.1016/j.ejphar.2012.03.011 COc1ccccc1N1CCN(CCOc2ccc3[nH]cnc3c2)CC1
4 Mol 2 NaN doi:10.1016/j.ejphar.2012.03.011 S=c1[nH]c2ccc(OCCN3CCN(c4ccccc4)CC3)cc2[nH]1
5 Mol 3 NaN doi:10.1016/j.ejphar.2012.03.011 FC(F)(F)c1cccc(N2CCN(CCOc3ccc4[nH]c(=S)[nH]c4c3)CC2)c1
6 Mol 1 NaN doi:10.1016/j.ejphar.2012.03.011 COc1ccccc1N1CCN(CCOc2ccc3[nH]c(=S)[nH]c3c2)CC1
7 Mol 8 NaN doi:10.1016/j.ejphar.2012.03.011 S=c1[nH]c2ccc(OCCCN3CCN(c4ccccc4)CC3)cc2[nH]1
8 Mol 2 NaN doi:10.1016/j.ejphar.2012.03.011 COc1ccccc1N1CCN(CCCOc2ccc3[nH]c(=S)[nH]c3c2)CC1
9 Mol 2 NaN doi:10.1016/j.ejphar.2012.03.011 S=c1[nH]c2ccc(OCCCN3CCN(c4cccc5ccccc45)CC3)cc2[nH]1
10 Mol 9 NaN doi:10.1016/j.ejphar.2012.03.011 FC(F)(F)c1cccc(N2CCN(CCCOc3ccc4[nH]c(=S)[nH]c4c3)CC2)c1
11 Mol 25 NaN doi:10.1016/j.ejphar.2012.03.011 c1ccc(N2CCN(CCCOc3ccc4nc[nH]c4c3)CC2)cc1
12 Mol 8 NaN doi:10.1016/j.ejphar.2012.03.011 COc1ccccc1N1CCN(CCCOc2ccc3nc[nH]c3c2)CC1
13 Mol 2 NaN doi:10.1016/j.ejphar.2012.03.011 c1ccc2c(N3CCN(CCCOc4ccc5nc[nH]c5c4)CC3)cccc2c1
14 Mol 20 NaN doi:10.1016/j.ejphar.2012.03.011 FC(F)(F)c1cccc(N2CCN(CCCOc3ccc4nc[nH]c4c3)CC2)c1
15 Mol 457 2662 doi:10.1002/ardp.201300189 O=C(Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1)c1ccccc1
16 Mol 723 575 doi:10.1002/ardp.201300189 O=C(Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1)c1ccccc1O
17 Mol 183 418 doi:10.1002/ardp.201300189 O=C(Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1)c1ccccn1
18 Mol 127 182 doi:10.1002/ardp.201300189 O=C(Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1)c1cccnc1
19 Mol 19 982 doi:10.1002/ardp.201300189 O=C(Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1)c1ccncc1
20 Mol 56 691 doi:10.1002/ardp.201300189 O=C(Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1)c1ccnnc1
21 Mol 183 142 doi:10.1002/ardp.201300189 O=C(Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1)c1cnccn1
22 Mol 19 NaN doi: 10.2298/JSC140423070S O=C(Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1)c1ccc(O)nc1
23 Mol 154 NaN doi: 10.2298/JSC140423070S O=C(Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1)c1cccnc1O
24 Mol 416 38 doi:10.1002/ardp.201300189 O=C(Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1)c1ccccc1
25 Mol 220 51 doi:10.1002/ardp.201300189 O=C(Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1)c1ccccc1O
26 Mol 72 2 doi:10.1002/ardp.201300189 O=C(Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1)c1ccccn1
27 Mol 83 2 doi:10.1002/ardp.201300189 O=C(Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1)c1cccnc1
28 Mol 471 8 doi:10.1002/ardp.201300189 O=C(Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1)c1ccncc1
29 Mol 270 0.6 doi:10.1002/ardp.201300189 O=C(Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1)c1ccnnc1
30 Mol 172 3 doi:10.1002/ardp.201300189 O=C(Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1)c1cnccn1
31 Mol 96 NaN doi: 10.2298/JSC140423070S O=C(Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1)c1ccc(O)nc1
32 Mol 120 NaN doi: 10.2298/JSC140423070S O=C(Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1)c1cccnc1O
33 Mol 1250 260 doi:10.1002/ardp.201300189 O=C(Nc1ccccc1CCN1CCN(c2ccccc2)CC1)c1ccccc1
34 Mol 1800 399 doi:10.1002/ardp.201300189 O=C(Nc1ccccc1CCN1CCN(c2ccccc2)CC1)c1ccccc1O
35 Mol 1400 305 doi:10.1002/ardp.201300189 O=C(Nc1ccccc1CCN1CCN(c2ccccc2)CC1)c1ccccn1
36 Mol 2400 86 doi:10.1002/ardp.201300189 O=C(Nc1ccccc1CCN1CCN(c2ccccc2)CC1)c1cccnc1
37 Mol 3700 438 doi:10.1002/ardp.201300189 O=C(Nc1ccccc1CCN1CCN(c2ccccc2)CC1)c1ccncc1
38 Mol 3900 27 doi:10.1002/ardp.201300189 O=C(Nc1ccccc1CCN1CCN(c2ccccc2)CC1)c1ccnnc1
39 Mol 2400 494 doi:10.1002/ardp.201300189 O=C(Nc1ccccc1CCN1CCN(c2ccccc2)CC1)c1cnccn1
40 Mol 4189 903 doi:10.1016/j.bmcl.2012.04.098 O=C(Cc1ccccc1)Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1
41 Mol 71 95 doi:10.1016/j.bmcl.2012.04.098 O=C(Cc1ccccn1)Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1
42 Mol 70 160 doi:10.1016/j.bmcl.2012.04.098 O=C(Cc1cccnc1)Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1
43 Mol 49 122 doi:10.1016/j.bmcl.2012.04.098 O=C(Cc1ccncc1)Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1
44 Mol 482 2264 doi:10.1016/j.bmcl.2012.04.098 O=C(Nc1ccccc1)Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1
45 Mol 14 126 doi:10.1016/j.bmcl.2012.04.098 O=C(Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1)Nc1ccccn1
46 Mol 8 398 doi:10.1016/j.bmcl.2012.04.098 O=C(Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1)Nc1cccnc1
47 Mol 4 227 doi:10.1016/j.bmcl.2012.04.098 O=C(Nc1ccncc1)Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1
48 Mol 3575 0.6 doi:10.1016/j.bmcl.2012.04.098 O=C(Cc1ccccc1)Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1
49 Mol 278 5 doi:10.1016/j.bmcl.2012.04.098 O=C(Cc1ccccn1)Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1
50 Mol 82 1 doi:10.1016/j.bmcl.2012.04.098 O=C(Cc1cccnc1)Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1
51 Mol 202 2 doi:10.1016/j.bmcl.2012.04.098 O=C(Cc1ccncc1)Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1
52 Mol 3250 6 doi:10.1016/j.bmcl.2012.04.098 O=C(Nc1ccccc1)Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1
53 Mol 364 8 doi:10.1016/j.bmcl.2012.04.098 O=C(Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1)Nc1ccccn1
54 Mol 30 1 doi:10.1016/j.bmcl.2012.04.098 O=C(Nc1cccnc1)Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1
55 Mol 49 0.5 doi:10.1016/j.bmcl.2012.04.098 O=C(Nc1ccncc1)Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1

Ligands tested on rat GPCRs

  Molecule D2 Ki [nM] 5HT1A Ki [nM] 5HT2A Ki [nM] Alpha 1 Ki [nM] Reference SMILES
1 Mol 72 NaN 79 43 doi: 10.1002/ardp.200900168 c1ccc(N2CCN(CCc3ccc4nc[nH]c4c3)CC2)cc1
2 Mol 2042 NaN 891 676 doi: 10.1002/ardp.200900168 c1cnc(N2CCN(CCc3ccc4nc[nH]c4c3)CC2)nc1
3 Mol 51 83 5 68 doi:10.1016/j.bmcl.2004.06.005 Cc1cccc(N2CCN(CCc3ccc4nn[nH]c4c3)CC2)c1C
4 Mol 2 126 15 93 doi:10.1016/j.bmcl.2004.06.005 c1ccc2c(N3CCN(CCc4ccc5nc[nH]c5c4)CC3)cccc2c1
5 Mol 24 39 10 NaN doi:10.1016/j.bmcl.2004.06.005 c1ccc2c(N3CCN(CCc4ccc5nn[nH]c5c4)CC3)cccc2c1
6 Mol 32 174 759 NaN doi:10.1016/j.bmcl.2004.06.005 c1ccc(-c2nc3ccc(CCN4CCN(c5ccccc5)CC4)cc3[nH]2)cc1
7 Mol 9 NaN 49 5 10.1002/ardp.200900168 COc1ccccc1N1CCN(CCc2ccc3nc[nH]c3c2)CC1
8 Mol 5 79 141 NaN doi:10.1016/j.bmcl.2004.06.005 COc1ccccc1N1CCN(CCc2ccc3nn[nH]c3c2)CC1
9 Mol 51 NaN 38 204 doi: 10.1002/ardp.200900168 FC(F)(F)c1cccc(N2CCN(CCc3ccc4nc[nH]c4c3)CC2)c1
10 Mol 28 87 1548 NaN doi:10.1016/j.bmcl.2004.06.005 O=c1[nH]c2ccc(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2[nH]c1=O
11 Mol 15 NaN 66 15 doi: 10.1002/ardp.200900168 Clc1ccccc1N1CCN(CCc2ccc3nc[nH]c3c2)CC1
12 Mol 28 174 81 35 doi: 10.2298/JSC0705429A O=[N+]([O-])c1ccccc1N1CCN(CCc2ccc3[nH]c(=S)[nH]c3c2)CC1
13 Mol 2 126 15 93 doi:10.1016/j.bmcl.2004.06.005 c1ccc2c(N3CCN(CCc4ccc5nc[nH]c5c4)CC3)cccc2c1
14 Mol 24 39 10 NaN doi:10.1016/j.bmcl.2004.06.005 c1ccc2c(N3CCN(CCc4ccc5nn[nH]c5c4)CC3)cccc2c1
15 Mol 19 43 16 11 doi: 10.2298/JSC0705429A O=[N+]([O-])c1ccccc1N1CCN(CCc2ccc3nc[nH]c3c2)CC1
16 Mol 41 NaN 38 15 doi: 10.1002/ardp.200900168 Clc1cc(CCN2CCN(c3ccccc3)CC2)cc2[nH]cnc12
17 Mol 11 NaN 16 3 doi: 10.1002/ardp.200900168 COc1ccccc1N1CCN(CCc2cc(Cl)c3nc[nH]c3c2)CC1
18 Mol 16 NaN 13 3 doi: 10.1002/ardp.200900168 Clc1ccccc1N1CCN(CCc2cc(Cl)c3nc[nH]c3c2)CC1
19 Mol 281 NaN 33 155 doi: 10.1002/ardp.200900168 FC(F)(F)c1cccc(N2CCN(CCc3cc(Cl)c4nc[nH]c4c3)CC2)c1
20 Mol 616 NaN 295 380 doi: 10.1002/ardp.200900168 Clc1cc(CCN2CCN(c3ncccn3)CC2)cc2[nH]cnc12
21 Mol 42 1175 13 22 doi: 10.2298/JSC0705429A O=[N+]([O-])c1ccccc1N1CCN(CCc2cc(Cl)c3nc[nH]c3c2)CC1
22 Mol 26 NaN 17 5 doi: 10.1002/ardp.200900168 Brc1cc(CCN2CCN(c3ccccc3)CC2)cc2[nH]cnc12
23 Mol 3 NaN 5 0.4 doi: 10.1002/ardp.200900168 COc1ccccc1N1CCN(CCc2cc(Br)c3nc[nH]c3c2)CC1
24 Mol 3 NaN 8 1 doi: 10.1002/ardp.200900168 Clc1ccccc1N1CCN(CCc2cc(Br)c3nc[nH]c3c2)CC1
25 Mol 72 NaN 15 123 doi: 10.1002/ardp.200900168 FC(F)(F)c1cccc(N2CCN(CCc3cc(Br)c4nc[nH]c4c3)CC2)c1
26 Mol 229 NaN 148 575 doi: 10.1002/ardp.200900168 Brc1cc(CCN2CCN(c3ncccn3)CC2)cc2[nH]cnc12
27 Mol 95 155 10 10 doi: 10.2298/JSC0705429A O=[N+]([O-])c1ccccc1N1CCN(CCc2cc(Br)c3nc[nH]c3c2)CC1
28 Mol 83 182 148 59 doi: 10.2298/JSC0705429A O=[N+]([O-])c1ccccc1N1CCN(CCc2cc(Cl)c3[nH]c(=S)[nH]c3c2)CC1
29 Mol 115 209 144 23 doi: 10.2298/JSC0705429A O=[N+]([O-])c1ccccc1N1CCN(CCc2cc(Br)c3[nH]c(=S)[nH]c3c2)CC1
30 Mol 42 933 2 29.5 doi:10.1016/j.bmcl.2007.08.066 S=c1[nH]c2ccc(OCCCN3CCN(c4ccccc4)CC3)cc2[nH]1
31 Mol 2 178 19 1.9 doi:10.1016/j.bmcl.2007.08.066 COc1ccccc1N1CCN(CCCOc2ccc3[nH]c(=S)[nH]c3c2)CC1
32 Mol 95 550 190 426 doi:10.1016/j.bmcl.2007.08.066 S=c1[nH]c2ccc(OCCCN3CCN(c4cccc5ccccc45)CC3)cc2[nH]1
33 Mol 363 100 316 490 doi:10.1016/j.bmcl.2007.08.066 FC(F)(F)c1cccc(N2CCN(CCCOc3ccc4[nH]c(=S)[nH]c4c3)CC2)c1
34 Mol 76 646 14 26 doi:10.1016/j.bmcl.2007.08.066 c1ccc(N2CCN(CCCOc3ccc4nc[nH]c4c3)CC2)cc1
35 Mol 9 15 79 6 doi:10.1016/j.bmcl.2007.08.066 COc1ccccc1N1CCN(CCCOc2ccc3nc[nH]c3c2)CC1
36 Mol 42 60 51 63 doi:10.1016/j.bmcl.2007.08.066 c1ccc2c(N3CCN(CCCOc4ccc5nc[nH]c5c4)CC3)cccc2c1
37 Mol 15 389 102 120 doi:10.1016/j.bmcl.2007.08.066 FC(F)(F)c1cccc(N2CCN(CCCOc3ccc4nc[nH]c4c3)CC2)c1
38 Mol 736 NaN NaN NaN doi: 10.2298/JSC151021097P COc1ccccc1N1CCN(C2CCN(Cc3ccccc3)CC2)CC1
39 Mol 521 NaN NaN NaN doi: 10.2298/JSC151021097P COc1ccccc1N1CCN(C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)CC1
40 Mol 937 NaN NaN NaN doi: 10.2298/JSC151021097P COc1ccccc1N1CCN(C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)CC1
41 Mol 1512 NaN NaN NaN doi: 10.2298/JSC151021097P COc1ccccc1N1CCN(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)CC1
42 Mol 341 NaN NaN NaN doi: 10.2298/JSC151021097P COc1ccccc1N1CCN(CC2CCN(Cc3ccccc3)CC2)CC1
43 Mol 31 NaN NaN NaN doi: 10.2298/JSC151021097P COc1ccccc1N1CCN(CC2CCN(Cc3ccccc3[N+](=O)[O-])CC2)CC1
44 Mol 258 NaN NaN NaN doi: 10.2298/JSC151021097P COc1ccccc1N1CCN(CC2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)CC1
45 Mol 200 NaN NaN NaN doi: 10.2298/JSC151021097P COc1ccccc1N1CCN(CC2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)CC1
46 Mol 1583 NaN NaN NaN doi: 10.2298/JSC151021097P COc1ccccc1N1CCN(C2CCN(C(=O)c3ccccc3)CC2)CC1
47 Mol 1205 NaN NaN NaN doi: 10.2298/JSC151021097P COc1ccccc1N1CCN(C2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1
48 Mol 755 NaN NaN NaN doi: 10.2298/JSC151021097P COc1ccccc1N1CCN(C2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1
49 Mol 905 NaN NaN NaN doi: 10.2298/JSC151021097P COc1ccccc1N1CCN(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1
50 Mol 189 NaN NaN NaN doi: 10.2298/JSC151021097P COc1ccccc1N1CCN(CC2CCN(C(=O)c3ccccc3)CC2)CC1
51 Mol 219 NaN NaN NaN doi: 10.2298/JSC151021097P COc1ccccc1N1CCN(CC2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1
52 Mol 300 NaN NaN NaN doi: 10.2298/JSC151021097P COc1ccccc1N1CCN(CC2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1
53 Mol 334.5 NaN NaN NaN doi: 10.2298/JSC151021097P COc1ccccc1N1CCN(CC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1
54 Mol 3278 NaN NaN NaN doi: 10.1002/ardp.201600081 COc1ccccc1N1CCN(C2CCN(C(=O)Cc3ccccc3)CC2)CC1
55 Mol 2538 NaN NaN NaN doi: 10.1002/ardp.201600081 COc1ccccc1N1CCN(C2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)CC1
56 Mol 708 NaN NaN NaN doi: 10.1002/ardp.201600081 COc1ccccc1N1CCN(C2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CC1
57 Mol 1589 NaN NaN NaN doi: 10.1002/ardp.201600081 COc1ccccc1N1CCN(C2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)CC1
58 Mol 1593 NaN NaN NaN doi: 10.1002/ardp.201600081 COc1ccccc1N1CCN(CC2CCN(C(=O)Cc3ccccc3)CC2)CC1
59 Mol 450 NaN NaN NaN doi: 10.1002/ardp.201600081 COc1ccccc1N1CCN(CC2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1
60 Mol 146 NaN NaN NaN doi: 10.1002/ardp.201600081 COc1ccccc1N1CCN(CC2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1
61 Mol 1465 NaN NaN NaN doi: 10.1002/ardp.201600081 COc1ccccc1N1CCN(CC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1
62 Mol 930 NaN NaN NaN doi: 10.1002/ardp.201600081 COc1ccccc1N1CCN(C2CCN(CCc3ccccc3)CC2)CC1
63 Mol 500 NaN NaN NaN doi: 10.1002/ardp.201600081 COc1ccccc1N1CCN(C2CCN(CCc3ccccc3[N+](=O)[O-])CC2)CC1
64 Mol 229 NaN NaN NaN doi: 10.1002/ardp.201600081 COc1ccccc1N1CCN(C2CCN(CCc3cccc([N+](=O)[O-])c3)CC2)CC1
65 Mol 360 NaN NaN NaN doi: 10.1002/ardp.201600081 COc1ccccc1N1CCN(C2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)CC1
66 Mol 1779 NaN NaN NaN doi: 10.1002/ardp.201600081 COc1ccccc1N1CCN(CC2CCN(CCc3ccccc3)CC2)CC1
67 Mol 319 NaN NaN NaN doi: 10.1002/ardp.201600081 COc1ccccc1N1CCN(CC2CCN(CCc3ccccc3[N+](=O)[O-])CC2)CC1
68 Mol 54 NaN NaN NaN doi: 10.1002/ardp.201600081 COc1ccccc1N1CCN(CC2CCN(CCc3cccc([N+](=O)[O-])c3)CC2)CC1
69 Mol 1530 NaN NaN NaN doi: 10.1002/ardp.201600081 COc1ccccc1N1CCN(CC2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)CC1

Ligands with IC50 values only, tested on bovine GPCRs

  Molecule D2 IC50 [&microM] 5HT1A IC50 [&microM] Reference SMILES
1 Mol 50 NaN Arzneim. Forsch Drug Res 44 (I) 6 697-702 1994 Curr Med Chem. 1998 Dec;5(6):49 CCCN(CCC)CCc1ccc2[nH]cnc2c1
2 Mol 50 NaN Bioorg Med Chem Lett 1991 1(8) 403-406 Curr Med Chem. 1998 Dec;5(6):493-512. CCCN(CCC)CCc1ccc2[nH]nnc2c1
3 Mol 3 NaN Bioorg Med Chem Lett 1991 1(8) 403-406 Curr Med Chem. 1998 Dec;5(6):493-512. CCCN(CCC)CCc1ccc2[nH]c(=O)c(=O)[nH]c2c1
4 Mol 3 >1000 Arzneim. Forsch Drug Res 44 (I) 6 697-702 1994 Curr Med Chem. 1998 Dec;5(6):4 CCCN(CCC)CCc1ccc2[nH]c(SC)nc2c1
5 Mol >1000 NaN Curr Med Chem. 1998 Dec;5(6):493-512. CCCN(CCC)CCc1ccc2[nH]c(SC)nc2c1
6 Mol 1000 >1000 Bioorg Med Chem Lett 1991 1(8) 403-406 Curr Med Chem. 1998 Dec;5(6):493-512. D CCCN(CCC)CCc1ccc2[nH]c(=S)[nH]c2c1
7 Mol >1000 >1000 Bioorg Med Chem Lett 1991 1(8) 403-406 Curr Med Chem. 1998 Dec;5(6):493-512. CCCN(CCC)CCc1ccc2[nH]c(=O)[nH]c2c1
8 Mol >100 NaN Arzneim. Forsch Drug Res 44 (I) 6 697-702 1994 NCCc1ccc(N)c(N)c1
9 Mol >100 NaN Arzneim. Forsch Drug Res 44 (I) 6 697-702 1994 CC(=O)Nc1ccc(CCN)cc1NC(C)=O
10 Mol >100 NaN Arzneim. Forsch Drug Res 44 (I) 6 697-702 1994 NCCc1ccc(NC(=O)C(F)(F)F)c(NC(=O)C(F)(F)F)c1
11 Mol >100 NaN Arzneim. Forsch Drug Res 44 (I) 6 697-702 1994 CS(=O)(=O)Nc1ccc(CCN)cc1NS(C)(=O)=O
12 Mol >100 NaN Arzneim. Forsch Drug Res 44 (I) 6 697-702 1994 CCCN(CCC)CCc1ccc(N)c(N)c1
13 Mol >100 NaN Arzneim. Forsch Drug Res 44 (I) 6 697-702 1994 CCCN(CCC)CCc1ccc(NC(C)=O)c(NC(C)=O)c1
14 Mol >100 NaN Arzneim. Forsch Drug Res 44 (I) 6 697-702 1994 CCCN(CCC)CCc1ccc(NC(=O)C(F)(F)F)c(NC(=O)C(F)(F)F)c1
15 Mol >100 NaN Arzneim. Forsch Drug Res 44 (I) 6 697-702 1994 CCCN(CCC)CCc1ccc(NS(C)(=O)=O)c(NS(C)(=O)=O)c1
16 Mol >100 NaN Arzneim. Forsch Drug Res 44 (I) 6 697-702 1994 NCCc1ccc2nc[nH]c2c1
17 Mol >100 NaN Arzneim. Forsch Drug Res 44 (I) 6 697-702 1994 NCCc1ccc2nn[nH]c2c1
18 Mol >100 NaN Arzneim. Forsch Drug Res 44 (I) 6 697-702 1994 NCCc1ccc2[nH]c(=O)[nH]c2c1
19 Mol >100 NaN Arzneim. Forsch Drug Res 44 (I) 6 697-702 1994 NCCc1ccc2[nH]c(=S)[nH]c2c1
20 Mol >100 NaN Arzneim. Forsch Drug Res 44 (I) 6 697-702 1994 NCCc1ccc2[nH]c(=O)c(=O)[nH]c2c1
21 Mol 3.4 NaN Pharmazie 1995 50 678-680 CCCN(CCC)C1CCc2cc3nc[nH]c3cc2C1
22 Mol 1.9 NaN Pharmazie 1995 50 678-680 CCCN(CCC)C1CCc2cc3nn[nH]c3cc2C1
23 Mol 1.3 NaN Pharmazie 1995 50 678-680 CCCN(CCC)C1CCc2cc3[nH]c(=S)[nH]c3cc2C1
24 Mol 5.2 NaN Pharmazie 1995 50 678-680 CCCN(CCC)C1CCc2cc3[nH]c(=O)c(=O)[nH]c3cc2C1
25 Mol 114 NaN Arzneim Forsch Drug Res 46 (II) 8 741-746 1996 CCCN(CCCc1ccccc1)CCc1ccc2[nH]c(=S)[nH]c2c1
26 Mol 470 NaN Arzneim Forsch Drug Res 46 (II) 8 741-746 1996 CCCN(CCCc1ccccc1)CCc1ccc2[nH]c(=O)c(=O)[nH]c2c1
27 Mol 240 NaN Arzneim Forsch Drug Res 46 (II) 8 741-746 1996 CCCN(CCc1ccc(C)cc1)CCc1ccc2[nH]c(=S)[nH]c2c1
28 Mol 198 NaN Arzneim Forsch Drug Res 46 (II) 8 741-746 1996 CCCN(CCc1ccc(Cl)cc1)CCc1ccc2[nH]c(=S)[nH]c2c1
29 Mol 203 NaN Arzneim Forsch Drug Res 46 (II) 8 741-746 1996 CCCN(CCc1ccc(O)cc1)CCc1ccc2[nH]c(=S)[nH]c2c1
30 Mol >100 NaN Arzneim Forsch Drug Res 46 (II) 8 741-746 1996 CCCN(CCc1ccc(-c2ccccc2)cc1)CCc1ccc2[nH]c(=S)[nH]c2c1
31 Mol >100 NaN Arzneim Forsch Drug Res 46 (II) 8 741-746 1996 CCCN(CCc1ccc(-c2ccccc2)cc1)CCc1ccc2[nH]c(=O)c(=O)[nH]c2c1
32 Mol >100 NaN Arzneim Forsch Drug Res 46 (II) 8 741-746 1996 CCCN(CCc1ccc(-c2ccccc2)cc1)CCc1ccc2[nH]nnc2c1
33 Mol >100 NaN Arzneim Forsch Drug Res 46 (II) 8 741-746 1996 CCCN(CCc1ccc(-c2ccccc2)cc1)CCc1ccc2[nH]cnc2c1
34 Mol 53 NaN Arzneim Forsch Drug Res 46 (II) 8 741-746 1996 CCCN(CCc1cccc(C)c1)CCc1ccc2[nH]c(=S)[nH]c2c1
35 Mol 244 NaN Arzneim Forsch Drug Res 46 (II) 8 741-746 1996 CCCN(CCc1cccc(OC)c1)CCc1ccc2[nH]c(=S)[nH]c2c1
36 Mol 20 NaN Arzneim Forsch Drug Res 46 (II) 8 741-746 1996 CCCN(CCc1cccc(O)c1)CCc1ccc2[nH]c(=S)[nH]c2c1
37 Mol 152 NaN Arzneim Forsch Drug Res 46 (II) 8 741-746 1996 CCCN(CCc1cccc(O)c1)CCc1ccc2[nH]nnc2c1
38 Mol 952 NaN Arzneim Forsch Drug Res 46 (II) 8 741-746 1996 CCCN(CCc1cccc(O)c1)CCc1ccc2[nH]cnc2c1
39 Mol >100 NaN Arzneim Forsch Drug Res 46 (II) 8 741-746 1996 CCCN(CCc1ccc(OC)c(OC)c1)CCc1ccc2[nH]c(=S)[nH]c2c1
40 Mol >100 NaN Arzneim Forsch Drug Res 46 (II) 8 741-746 1996 CCCN(CCc1ccc2[nH]c(=S)[nH]c2c1)CC(c1ccccc1)c1ccccc1
41 Mol 17 NaN Arzneim Forsch Drug Res 46 (II) 8 741-746 1996 CCCN(CCc1ccc2[nH]c(=S)[nH]c2c1)CCc1cccc2ccccc12
42 Mol 75 NaN Arzneim Forsch Drug Res 46 (II) 8 741-746 1996 CCCN(CCc1ccc2[nH]c(=O)c(=O)[nH]c2c1)CCc1cccc2ccccc12
43 Mol 350 NaN Arzneim Forsch Drug Res 46 (II) 8 741-746 1996 CCCN(CCc1ccc2[nH]nnc2c1)CCc1cccc2ccccc12
44 Mol 465 NaN Arzneim Forsch Drug Res 46 (II) 8 741-746 1996 CCCN(CCc1ccc2[nH]cnc2c1)CCc1cccc2ccccc12
45 Mol 806 NaN Arzneim Forsch Drug Res 46 (II) 8 741-746 1996 CCCN(CCc1ccc2ccccc2c1)CCc1ccc2[nH]c(=S)[nH]c2c1
46 Mol >100 NaN Arzneim Forsch Drug Res 46 (II) 8 741-746 1996 CCCN(CCc1ccc2ccccc2c1)CCc1ccc2[nH]c(=O)c(=O)[nH]c2c1
47 Mol >100 NaN Arzneim Forsch Drug Res 46 (II) 8 741-746 1996 CCCN(CCc1ccc2ccccc2c1)CCc1ccc2[nH]nnc2c1
48 Mol >100 NaN Arzneim Forsch Drug Res 46 (II) 8 741-746 1996 CCCN(CCc1ccc2ccccc2c1)CCc1ccc2[nH]cnc2c1
49 Mol >100 NaN Pharmazie 51 1996 694-697 CCCN(CCC)CCc1ccc2[nH]c(C)nc2c1
50 Mol >100 NaN Pharmazie 51 1996 694-697 CCCN(CCC)CCc1ccc2[nH]c(CC)nc2c1
51 Mol >100 NaN Pharmazie 51 1996 694-697 CCCN(CCC)CCc1ccc2[nH]c(C(C)C)nc2c1
52 Mol >100 NaN Pharmazie 51 1996 694-697 CCCN(CCC)CCc1ccc2[nH]c(C(F)(F)F)nc2c1
53 Mol 2.2 NaN Pharmazie 51 1996 694-697 CCCN(CCC)CCc1ccc2[nH]c(C(Cl)(Cl)Cl)nc2c1
54 Mol 22.4 NaN Pharmazie 51 1996 694-697 CCCN(CCC)CCc1ccc2[nH]c(C(F)F)nc2c1
55 Mol 0.59 NaN Pharmazie 51 1996 694-697 CCCN(CCC)CCc1ccc2[nH]c(C(Cl)Cl)nc2c1
56 Mol 0.24 NaN Pharmazie 51 1996 694-697 CCCN(CCC)CCc1ccc2[nH]c(C(Br)Br)nc2c1
57 Mol >100 NaN Pharmazie 51 1996 694-697 CCCN(CCC)CCc1ccc2[nH]c(CO)nc2c1
58 Mol >100 NaN Pharmazie 51 1996 694-697 CCCN(CCC)CCc1ccc2[nH]c(COC(C)=O)nc2c1
59 Mol 0.09 NaN Pharmazie 51 1996 694-697 CCCN(CCc1ccc2[nH]c(C(Cl)Cl)nc2c1)CCc1cccc2ccccc12
60 Mol 0.119 NaN Pharmazie 51 1996 694-697 CCCN(CCc1ccc2[nH]c(C(Br)Br)nc2c1)CCc1cccc2ccccc12
61 Mol 50 NaN Pharmazie 51 1996 694-697 CCCN(CC)CCc1ccc2[nH]cnc2c1
62 Mol 7 7.1 J Serb Chem Soc 1997 62(9) 769-775 CCCN(CCC)CCc1ccc2[nH]c(-c3ccccc3)nc2c1
63 Mol >100 2.9 J Serb Chem Soc 1997 62(9) 769-775 CCCN(CCC)CCc1ccc2[nH]c(-c3ccccn3)nc2c1
64 Mol 11 >100 J Serb Chem Soc 1997 62(9) 769-775 CCCN(CCC)CCc1ccc2[nH]c(-c3cccnc3)nc2c1
65 Mol 10.8 42 J Serb Chem Soc 1997 62(9) 769-775 CCCN(CCC)CCc1ccc2[nH]c(Cc3ccccc3)nc2c1
66 Mol 3.8 2.9 J Serb Chem Soc 1997 62(9) 769-775 CCCN(CCC)CCc1ccc2[nH]c(Cc3ccc(Cl)cc3)nc2c1
67 Mol 1.5 0.78 J Serb Chem Soc 1997 62(9) 769-775 CCCN(CCC)CCc1ccc2[nH]c(Cc3ccc([N+](=O)[O-])cc3)nc2c1
68 Mol 7.2 3.3 J Serb Chem Soc 1997 62(9) 769-775 CCCN(CCC)CCc1ccc2[nH]c(Cc3cccc4ccccc34)nc2c1
69 Mol 2.9 4.2 J Serb Chem Soc 1997 62(9) 769-775 CCCN(CCC)CCc1ccc2[nH]c(Cc3ccccn3)nc2c1
70 Mol >100 >100 J Serb Chem Soc 1997 62(9) 769-775 CCCN(CCC)CCc1ccc2[nH]c(Cc3cccnc3)nc2c1
71 Mol 3.1 6.4 J Serb Chem Soc 1997 62(9) 769-775 CCCN(CCC)CCc1ccc2[nH]c(C(c3ccccc3)c3ccccc3)nc2c1

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