CHEMBL320416


SMILES O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1C(F)(F)F
InChIKey PKCVDMJTPNQZEX-WHJRKYDLSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 539.2

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
V1A V1AR Human Vasopressin and oxytocin A pKi 7.4 7.4 7.4 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 8.05 8.05 8.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V1A V1AR Human Vasopressin and oxytocin A pIC50 8.4 8.4 8.4 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pIC50 8.15 8.15 8.15 ChEMBL