CHEMBL2115364


SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(N=[N+]=[N-])cc2)NC(=O)C(C)(C)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O
InChIKey WXRKRODRLZRAGZ-HSLJZQCHSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 11
Rotatable bonds 20
Molecular weight (Da) 1170.5

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V2 V2R Pig Vasopressin and oxytocin A pKd 7.0 7.0 7.0 ChEMBL
V1A V1AR Rat Vasopressin and oxytocin A pKd 9.22 9.27 9.32 ChEMBL
V1A V1AR Rat Vasopressin and oxytocin A pKi 8.72 8.72 8.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database