CHEMBL2391300


SMILES CN[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(c3ccccc3C)CC1)C2(C)C
InChIKey CZRITFDAPBAXMY-SMAWTLEESA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 568.3

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
V1B V1BR Human Vasopressin and oxytocin A pKi 5.89 5.89 5.89 ChEMBL
OT OXYR Human Vasopressin and oxytocin A pKi 8.28 8.28 8.28 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 6.74 6.74 6.74 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pKi 6.21 6.21 6.21 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V1A V1AR Rat Vasopressin and oxytocin A pIC50 6.5 6.5 6.5 ChEMBL
V2 V2R Rat Vasopressin and oxytocin A pIC50 6.46 6.46 6.46 ChEMBL
OT OXYR Rat Vasopressin and oxytocin A pIC50 8.04 8.04 8.04 ChEMBL