CHEMBL1779404


SMILES COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cnc(OC)nc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1
InChIKey LGZSJWGVSJWHSN-HHCKTEBMSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 661.2

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
V1B V1BR Human Vasopressin and oxytocin A pKi 8.25 8.25 8.25 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 6.76 6.76 6.76 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 6.2 6.2 6.2 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 7.35 7.35 7.35 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database