pethidine
| SMILES | CCOC(=O)C1(CCN(CC1)C)c1ccccc1 |
| InChIKey | XADCESSVHJOZHK-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 247.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/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 | 6.04 | 6.04 | 6.04 | ChEMBL |
| μ | OPRM | Rat | Opioid | A | pKi | 5.0 | 5.52 | 6.04 | PDSP Ki database |
| κ | OPRK | Human | Opioid | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
| μ | OPRM | Human | Opioid | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| δ | OPRD | Human | Opioid | A | pIC50 | 5.0 | 5.0 | 5.0 | Guide to Pharmacology |
| μ | OPRM | Human | Opioid | A | pIC50 | 6.5 | 6.5 | 6.5 | Guide to Pharmacology |
| κ | OPRK | Human | Opioid | A | pIC50 | 5.62 | 5.62 | 5.62 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pIC50 | 6.5 | 6.5 | 6.5 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pEC50 | 5.03 | 5.03 | 5.03 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pIC50 | 5.63 | 5.63 | 5.63 | Guide to Pharmacology |