CHEMBL2179661


SMILES CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(OC(=O)Cc2ccccc2)[C@H]1C5
InChIKey JUNNRNPPDPOZCZ-WDJKZLNSSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 564.2

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
δ OPRD Human Opioid A pKi 9.01 9.01 9.01 ChEMBL
κ OPRK Human Opioid A pKi 7.77 7.77 7.77 ChEMBL
μ OPRM Human Opioid A pKi 8.85 8.85 8.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 7.72 7.72 7.72 ChEMBL
κ OPRK Human Opioid A pEC50 6.96 6.96 6.96 ChEMBL
μ OPRM Human Opioid A pEC50 7.06 7.06 7.06 ChEMBL