CHEMBL4597924


SMILES O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccc2ccoc12
InChIKey VUBDLMOLGQFYGR-LKAHNZHJSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 486.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Mouse Opioid A pKi 9.09 9.09 9.09 ChEMBL
μ OPRM Mouse Opioid A pKi 9.74 9.74 9.74 ChEMBL
δ OPRD Human Opioid A pKi 7.75 7.75 7.75 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Mouse Opioid A pEC50 7.43 8.22 9.02 ChEMBL
μ OPRM Mouse Opioid A pIC50 7.81 7.81 7.81 ChEMBL