CHEMBL339943


SMILES CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)N[C@H](CCCN=C(N)N)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 GKYQXENNXMLCDY-YHYOEJKBSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 10
Rotatable bonds 16
Molecular weight (Da) 995.5

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
V2 V2R Pig Vasopressin and oxytocin A pKi 8.54 8.54 8.54 ChEMBL
V2 V2R Human Vasopressin and oxytocin A pKi 8.82 8.82 8.82 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database