CHEMBL603708


SMILES O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1
InChIKey PHOVIPPURLHZTI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 446.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OT OXYR Human Vasopressin and oxytocin A pKi 6.96 7.02 7.2 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 8.12 8.96 9.24 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 7.85 8.38 8.56 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OT OXYR Human Vasopressin and oxytocin A pIC50 6.96 6.96 6.96 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pEC50 7.2 7.2 7.2 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pEC50 8.12 8.12 8.12 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pIC50 9.24 9.24 9.24 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pEC50 7.85 7.85 7.85 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pIC50 8.56 8.56 8.56 ChEMBL