CHEMBL263482


SMILES COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)CCCc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314
InChIKey JBNVIAMDBGQFPU-CBZTZNMZSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 534.2

Drug properties

Molecular type Small molecule
Endogenous/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 7.05 7.05 7.05 ChEMBL
κ OPRK Human Opioid A pKi 8.12 8.12 8.12 ChEMBL
μ OPRM Human Opioid A pKi 8.41 8.41 8.41 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 7.1 7.1 7.1 ChEMBL
κ OPRK Human Opioid A pIC50 7.7 7.7 7.7 ChEMBL
μ OPRM Human Opioid A pIC50 8.31 8.31 8.31 ChEMBL