CHEMBL1779403


SMILES COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3nccnc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1
InChIKey XSVCEDLKELNLBS-SSVXIMEWSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 631.2

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 7.58 7.58 7.58 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 6.57 6.57 6.57 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 6.3 6.3 6.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database