compound 17 [PMID: 15300839]


SMILES COc1ccc(cc1)S(=O)(=O)N[C@@H]1CCCC[C@H]1NC(c1cccc2c1cccc2)C
InChIKey AKPJKVQQBSNRID-XTEKXTAFSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 438.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.7 7.7 7.7 Guide to Pharmacology
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.1 6.1 6.1 Guide to Pharmacology
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 7.9 7.9 7.9 Guide to Pharmacology
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 5.2 5.2 5.2 Guide to Pharmacology
5-HT1F 5HT1F Human 5-Hydroxytryptamine A pKi 6.0 6.0 6.0 Guide to Pharmacology
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.6 6.6 6.6 Guide to Pharmacology
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.4 7.4 7.4 Guide to Pharmacology
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.2 6.2 6.2 Guide to Pharmacology
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.9 5.9 5.9 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NPS NPSR1 Human Neuropeptide S A Potency 4.8 4.8 4.8 ChEMBL