CHEMBL3401557


SMILES COc1cc2cnc(C(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5CC4CC4)[C@H]3O7)cc2cc1OC
InChIKey PDQAKNFWMDCGQC-MVEZPGGSSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 557.3

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
κ OPRK Mouse Opioid A pKi 7.21 7.21 7.21 ChEMBL
μ OPRM Mouse Opioid A pKi 7.87 7.87 7.87 ChEMBL
δ OPRD Mouse Opioid A pKi 7.16 7.16 7.16 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Mouse Opioid A pEC50 7.07 7.07 7.07 ChEMBL