CHEMBL528996


SMILES Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)n1
InChIKey GRCPGLCEGKJUFI-ULJHMMPZSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 547.2

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
V2 V2R Rat Vasopressin and oxytocin A pKi 7.72 7.72 7.72 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 8.32 8.32 8.32 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 7.58 7.58 7.58 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V2 V2R Human Vasopressin and oxytocin A pEC50 8.74 8.74 8.74 ChEMBL