CHEMBL3349467


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

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 10
Rotatable bonds 14
Molecular weight (Da) 991.5

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
V1A V1AR Rat Vasopressin and oxytocin A pKd 6.56 6.56 6.56 ChEMBL
V2 V2R Rat Vasopressin and oxytocin A pKd 5.4 5.4 5.4 ChEMBL
OT OXYR Rat Vasopressin and oxytocin A pKd 7.6 7.67 7.73 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database