OPC 4392   Click here for help

GtoPdb Ligand ID: 268

Synonyms: OPC-4392
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 48.57
Molecular weight 391.23
XLogP 4.89
No. Lipinski's rules broken 0
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Canonical SMILES Cc1cccc(c1C)N1CCN(CC1)CCCOc1ccc2c(c1)[nH]c(=O)cc2
Isomeric SMILES Cc1cccc(c1C)N1CCN(CC1)CCCOc1ccc2c(c1)[nH]c(=O)cc2
InChI InChI=1S/C24H29N3O2/c1-18-5-3-6-23(19(18)2)27-14-12-26(13-15-27)11-4-16-29-21-9-7-20-8-10-24(28)25-22(20)17-21/h3,5-10,17H,4,11-16H2,1-2H3,(H,25,28)
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
5-HT7 receptor Rn Agonist Full agonist 7.7 pKi - 1
pKi 7.7 [1]
5-HT6 receptor Rn Agonist Full agonist 6.2 pKi - 1
pKi 6.2 [1]