CHEMBL3349464


SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O
InChIKey DWTAMXHTYCZNJY-CKNRHVEPSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 11
Rotatable bonds 14
Molecular weight (Da) 1000.5

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 6.52 6.52 6.52 ChEMBL
V2 V2R Rat Vasopressin and oxytocin A pKd 5.5 5.5 5.5 ChEMBL
OT OXYR Rat Vasopressin and oxytocin A pKd 7.65 7.74 7.83 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database