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 |