CHEMBL1779418


SMILES COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cc(CN(C)C)ccc3OC)(N3CCC[C@H]3c3ncco3)c3cc(Cl)ccc32)cc1
InChIKey OAIPTJXKMLWSCX-GMCHKSTQSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 0
Rotatable bonds 9
Molecular weight (Da) 636.2

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
V1B V1BR Human Vasopressin and oxytocin A pKi 8.7 8.7 8.7 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 6.94 6.94 6.94 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 6.54 6.54 6.54 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database