CHEMBL1817701


SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCCOCCO)NC1=O
InChIKey ZSJMMGZUABBAPA-HOHGFJJGSA-N

Chemical properties

Hydrogen bond acceptors 17
Hydrogen bond donors 13
Rotatable bonds 22
Molecular weight (Da) 1065.5

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V1B V1BR Human Vasopressin and oxytocin A pEC50 7.38 7.38 7.39 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pEC50 8.32 8.32 8.32 ChEMBL