codeine
| SMILES | COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C |
| InChIKey | OROGSEYTTFOCAN-DNJOTXNNSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 1 |
| Molecular weight (Da) | 299.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| μ | OPRM | Human | Opioid | A | pKi | 6.9 | 6.9 | 6.9 | Guide to Pharmacology |
| δ | OPRD | Human | Opioid | A | pKi | 4.28 | 4.28 | 4.28 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pKi | 4.59 | 4.59 | 4.59 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 5.2 | 5.67 | 6.14 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pKi | 8.37 | 8.37 | 8.37 | Drug Central |
| κ | OPRK | Human | Opioid | A | pKi | 8.34 | 8.34 | 8.34 | Drug Central |
| μ | OPRM | Human | Opioid | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| κ | OPRK | Human | Opioid | A | pIC50 | 4.82 | 4.82 | 4.82 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pEC50 | 5.21 | 5.21 | 5.21 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pIC50 | 6.28 | 6.63 | 6.98 | ChEMBL |