CHEMBL5200218


SMILES O=C(CCc1ccccc1)N[C@@H]1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@]32CC[C@@H]1O2
InChIKey FJCPWHQOXLNSHQ-MMAVNDQVSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 472.3

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 8.29 8.29 8.29 ChEMBL
κ OPRK Human Opioid A pKi 9.71 9.71 9.71 ChEMBL
μ OPRM Human Opioid A pKi 9.9 9.9 9.9 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 6.95 6.95 6.95 ChEMBL
κ OPRK Human Opioid A pEC50 8.28 8.28 8.28 ChEMBL
μ OPRM Human Opioid A pEC50 7.9 7.9 7.9 ChEMBL