CHEMBL3349469


SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O
InChIKey XNFZULVFMCTJAC-YKVWRKJBSA-N

Chemical properties

Hydrogen bond acceptors 16
Hydrogen bond donors 12
Rotatable bonds 19
Molecular weight (Da) 1153.5

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
V1A V1AR Rat Vasopressin and oxytocin A pKd 7.02 7.02 7.02 ChEMBL
OT OXYR Rat Vasopressin and oxytocin A pKd 7.63 7.96 8.28 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database