CHEMBL1852393


SMILES Cc1cnccc1C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
InChIKey COQZBDBMRLFDRK-XGTKUTNFSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 461.2

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
δ OPRD Human Opioid A pKi 6.56 6.56 6.56 ChEMBL
κ OPRK Human Opioid A pKi 7.01 7.01 7.01 ChEMBL
μ OPRM Human Opioid A pKi 9.24 9.24 9.24 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 7.41 7.41 7.41 ChEMBL
κ OPRK Human Opioid A pEC50 7.58 7.58 7.58 ChEMBL
μ OPRM Human Opioid A pEC50 8.82 8.82 8.82 ChEMBL