CHEMBL435021


SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CNCCN2C(=O)[C@H]2CCCCN2C1=O
InChIKey XPKURONBKQLLCO-NNEDNOOKSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 780.4

Drug properties

Molecular type Protein
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OT OXYR Rat Vasopressin and oxytocin A pKi 8.47 8.47 8.47 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 8.33 8.34 8.35 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V1A V1AR Rat Vasopressin and oxytocin A pIC50 4.5 4.5 4.5 ChEMBL
V2 V2R Rat Vasopressin and oxytocin A pIC50 6.16 6.16 6.16 ChEMBL
OT OXYR Rat Vasopressin and oxytocin A pIC50 8.08 8.08 8.08 ChEMBL