CHEMBL2338744


SMILES CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)CC(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5
InChIKey JENXBMNLMNZGDU-PQBYYLDZSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 467.3

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
μ OPRM Rat Opioid A pKi 9.7 9.7 9.7 ChEMBL
δ OPRD Human Opioid A pKi 9.47 9.47 9.47 ChEMBL
κ OPRK Human Opioid A pKi 10.04 10.04 10.04 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Rat Opioid A pEC50 8.92 8.92 8.92 ChEMBL
κ OPRK Human Opioid A pEC50 10.24 10.24 10.24 ChEMBL