CLOCINNAMOX


SMILES O=C(/C=C/c1ccc(Cl)cc1)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5
InChIKey RAURUSFBVQLAPW-DNIKMYEQSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 504.2

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 Rat Opioid A pKi 8.27 8.27 8.27 ChEMBL
μ OPRM Rat Opioid A pKi 8.05 8.05 8.05 ChEMBL
δ OPRD Human Opioid A pKi 8.57 8.62 8.8 ChEMBL
κ OPRK Human Opioid A pKi 8.14 8.71 8.85 ChEMBL
μ OPRM Human Opioid A pKi 8.52 8.74 9.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 9.72 9.72 9.72 ChEMBL
κ OPRK Human Opioid A pIC50 10.0 10.0 10.0 ChEMBL
μ OPRM Human Opioid A pIC50 9.28 9.28 9.28 ChEMBL