CHEMBL416114


SMILES CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N[C@H](CCCCN)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 HRFWEUADKZZMBI-YHYOEJKBSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 9
Rotatable bonds 16
Molecular weight (Da) 953.5

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 pKi 7.58 8.02 8.24 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 8.48 8.48 8.48 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database