CHEMBL3691886


SMILES COC12CC[C@@]3(C[C@@H]1CNC(=O)c1ccccc1C(=O)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5
InChIKey MKYDARKRDSXKSS-ZCSDQBEYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 544.3

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
κ OPRK Human Opioid A pKi 9.49 9.49 9.49 ChEMBL
μ OPRM Human Opioid A pKi 8.82 8.82 8.82 ChEMBL
δ OPRD Human Opioid A pKi 8.19 8.19 8.19 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database