CHEMBL1779400


SMILES COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cccnc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1
InChIKey JXDBAMPVBYMQEE-XGGVPNMNSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 630.2

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
OT OXYR Human Vasopressin and oxytocin A pKi 7.38 7.38 7.38 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 7.26 7.26 7.26 ChEMBL
V1B V1BR Human Vasopressin and oxytocin A pKi 8.89 8.89 8.89 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 6.21 6.21 6.21 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database