CHEMBL1779401


SMILES COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cccnc3OC)(N3CCC[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1
InChIKey UXLBCGXDZQCSQS-IADCTJSHSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 0
Rotatable bonds 8
Molecular weight (Da) 614.2

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 8.42 8.42 8.42 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 7.21 7.21 7.21 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 6.66 6.66 6.66 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database