CHEMBL2115369


SMILES COc1ccc(C[C@@H]2NC(=O)C3(CCCC3)CSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1
InChIKey KAOLGZBCUUKYAG-SBFCBURCSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 11
Rotatable bonds 20
Molecular weight (Da) 1185.5

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
V2 V2R Pig Vasopressin and oxytocin A pKd 7.0 7.0 7.0 ChEMBL
V1A V1AR Rat Vasopressin and oxytocin A pKd 9.63 9.69 9.74 ChEMBL
V1A V1AR Rat Vasopressin and oxytocin A pKi 8.85 8.85 8.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database