CHEMBL338308


SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCC=NN2C1=O
InChIKey JDOMSHIFFAUNHK-FZTIRJJLSA-N

Chemical properties

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

Drug properties

Molecular type Protein
Endogenous/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 8.22 8.22 8.22 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 7.48 7.58 7.68 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V1A V1AR Rat Vasopressin and oxytocin A pIC50 6.1 6.1 6.1 ChEMBL
V2 V2R Rat Vasopressin and oxytocin A pIC50 5.8 5.8 5.8 ChEMBL
OT OXYR Rat Vasopressin and oxytocin A pIC50 7.82 7.82 7.82 ChEMBL