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 |
Endogenous/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 |