CHEMBL246956


SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(C(N)=O)cc1)C(N)=O
InChIKey WVSXHGGHIPRNNC-FKBYEOEOSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 7
Rotatable bonds 17
Molecular weight (Da) 599.3

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 8.89 8.89 8.89 ChEMBL
κ OPRK Human Opioid A pKi 6.34 6.34 6.34 ChEMBL
μ OPRM Human Opioid A pKi 7.75 7.75 7.75 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 8.0 8.0 8.0 ChEMBL
μ OPRM Human Opioid A pEC50 6.57 6.57 6.57 ChEMBL