CHEMBL1083703


SMILES COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1csc2ccccc12
InChIKey UXYNEKLEPXVKQZ-WXTAPIANSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 3
Molecular weight (Da) 419.2

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
V2 V2R Human Vasopressin and oxytocin A pKi 7.82 7.82 7.82 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 9.1 9.1 9.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V2 V2R Human Vasopressin and oxytocin A pIC50 6.08 6.08 6.08 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pIC50 7.39 7.39 7.39 ChEMBL