CHEMBL4779988


SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O
InChIKey VEGQLNMUJOVTKQ-AECWIZBESA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 18
Rotatable bonds 39
Molecular weight (Da) 1246.7

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
δ OPRD Human Opioid A pKi 5.66 5.66 5.66 ChEMBL
κ OPRK Human Opioid A pKi 7.07 7.07 7.07 ChEMBL
μ OPRM Human Opioid A pKi 6.09 6.09 6.09 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 5.31 5.31 5.31 ChEMBL
κ OPRK Human Opioid A pIC50 6.8 6.8 6.8 ChEMBL
μ OPRM Human Opioid A pIC50 5.79 5.79 5.79 ChEMBL