CHEMBL3350125


SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O
InChIKey AUPQOJCSCYBFTO-MJQIKENPSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 11
Rotatable bonds 17
Molecular weight (Da) 1091.5

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
V1A V1AR Rat Vasopressin and oxytocin A pKd 7.56 7.56 7.56 ChEMBL
V2 V2R Rat Vasopressin and oxytocin A pKd 7.25 7.25 7.25 ChEMBL
OT OXYR Rat Vasopressin and oxytocin A pKd 7.35 7.66 7.97 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database