CHEMBL217658


SMILES O=C1CC[C@@]2(NCCc3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
InChIKey AXLHFOFZVNWFHI-HBMTYJCASA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 478.2

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 8.72 8.72 8.72 ChEMBL
κ OPRK Human Opioid A pKi 8.81 8.81 8.81 ChEMBL
μ OPRM Human Opioid A pKi 9.07 9.07 9.07 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 8.8 8.8 8.8 ChEMBL
κ OPRK Human Opioid A pIC50 9.47 9.47 9.47 ChEMBL
μ OPRM Human Opioid A pIC50 8.81 8.81 8.81 ChEMBL