CHEMBL4109652


SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(Br)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5
InChIKey ZQPMWEQJZNJYEY-VTPACTEHSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 549.2

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 Human Opioid A pKi 9.62 9.62 9.62 ChEMBL
μ OPRM Human Opioid A pKi 7.31 7.31 7.31 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 6.87 6.87 6.87 ChEMBL
κ OPRK Human Opioid A pEC50 8.02 8.02 8.02 ChEMBL
μ OPRM Human Opioid A pEC50 6.57 6.57 6.57 ChEMBL