CHEMBL2113305


SMILES CO[C@@]12CC[C@@]3(C[C@@H]1CNC(=O)/C=C/c1ccccc1Cl)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5
InChIKey JBOQQMROLOTLHB-QXBRHUNYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 520.2

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 8.12 8.12 8.12 ChEMBL
κ OPRK Human Opioid A pKi 8.79 8.79 8.79 ChEMBL
μ OPRM Human Opioid A pKi 9.6 9.6 9.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 8.45 8.45 8.45 ChEMBL
μ OPRM Human Opioid A pEC50 8.47 9.0 9.52 ChEMBL