CHEMBL2402936


SMILES NC(=O)[C@@H]1CNC(=S)NC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N1
InChIKey MNTOUKHSDQFMMF-XSDIEEQYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 9
Rotatable bonds 7
Molecular weight (Da) 598.2

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
κ OPRK Guinea pig Opioid A pKi 7.27 7.27 7.27 ChEMBL
μ OPRM Rat Opioid A pKi 7.54 8.47 9.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 8.62 8.62 8.62 ChEMBL
μ OPRM Rat Opioid A pEC50 6.6 6.6 6.6 ChEMBL
μ OPRM Rat Opioid A pIC50 7.44 8.38 9.31 ChEMBL