CHEMBL386272


SMILES COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314
InChIKey LZSMGMMAKBCSRL-WDJVXPEUSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 518.2

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
δ OPRD Human Opioid A pKi 8.32 8.33 8.35 ChEMBL
κ OPRK Human Opioid A pKi 7.54 7.74 7.8 ChEMBL
μ OPRM Human Opioid A pKi 8.32 8.52 9.34 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 8.14 8.14 8.14 ChEMBL
κ OPRK Human Opioid A pIC50 8.01 8.01 8.01 ChEMBL
μ OPRM Human Opioid A pIC50 9.01 9.01 9.01 ChEMBL
μ OPRM Human Opioid A pEC50 7.75 7.75 7.75 ChEMBL