CHEMBL2113312


SMILES CO[C@@]12CC[C@@]3(C[C@@H]1CNC/C=C/c1ccc(Cl)cc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5
InChIKey IPCUROXJWYEEMT-HZLTZPQRSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 506.2

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
κ OPRK Human Opioid A pKi 8.0 8.0 8.0 ChEMBL
μ OPRM Human Opioid A pKi 9.17 9.17 9.17 ChEMBL
δ OPRD Human Opioid A pKi 7.22 7.22 7.22 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 7.85 7.85 7.85 ChEMBL
μ OPRM Human Opioid A pEC50 7.2 7.73 8.27 ChEMBL