CHEMBL2112248


SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCC=NN2C1=O
InChIKey KHZMWMBLYZHOQJ-KXQLWDMUSA-N

Chemical properties

Hydrogen bond acceptors None
Hydrogen bond donors None
Rotatable bonds None
Molecular weight (Da)

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 8.89 8.89 8.89 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 8.64 8.77 8.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V1A V1AR Rat Vasopressin and oxytocin A pIC50 5.4 5.4 5.4 ChEMBL
V2 V2R Rat Vasopressin and oxytocin A pIC50 5.96 5.96 5.96 ChEMBL
OT OXYR Rat Vasopressin and oxytocin A pIC50 8.22 8.22 8.22 ChEMBL