CHEMBL2402937


SMILES CS/C1=N/C[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CN1
InChIKey SFIREGVLUZEACS-MYGLTJDJSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 8
Rotatable bonds 7
Molecular weight (Da) 612.2

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
μ OPRM Rat Opioid A pKi 8.38 8.38 8.38 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 7.68 7.68 7.68 ChEMBL
μ OPRM Rat Opioid A pEC50 5.65 5.65 5.65 ChEMBL
μ OPRM Rat Opioid A pIC50 8.28 8.28 8.28 ChEMBL