CHEMBL2112249


SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O
InChIKey ILLSOIRJMQNTIA-YCTRJVDCSA-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 9.15 9.15 9.15 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 8.19 8.24 8.29 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V1A V1AR Rat Vasopressin and oxytocin A pIC50 5.58 5.58 5.58 ChEMBL
V2 V2R Rat Vasopressin and oxytocin A pIC50 6.04 6.06 6.09 ChEMBL
OT OXYR Rat Vasopressin and oxytocin A pIC50 8.66 8.66 8.66 ChEMBL