fentanyl
| SMILES | CCC(=O)N(c1ccccc1)C1CCN(CC1)CCc1ccccc1 |
| InChIKey | PJMPHNIQZUBGLI-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 336.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
| Structure pdb | 8EF5 |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| δ | OPRD | Human | Opioid | A | pKi | 6.8 | 6.8 | 6.8 | Guide to Pharmacology |
| κ | OPRK | Human | Opioid | A | pKi | 7.1 | 7.1 | 7.1 | Guide to Pharmacology |
| μ | OPRM | Human | Opioid | A | pKi | 9.2 | 9.2 | 9.2 | Guide to Pharmacology |
| μ | OPRM | Rat | Opioid | A | pKi | 9.4 | 9.4 | 9.4 | Guide to Pharmacology |
| μ | OPRM | Mouse | Opioid | A | pKi | 8.23 | 8.23 | 8.23 | ChEMBL |
| δ | OPRD | Mouse | Opioid | A | pKi | 6.25 | 6.25 | 6.25 | ChEMBL |
| κ | OPRK | Guinea pig | Opioid | A | pKi | 5.95 | 6.4 | 6.71 | ChEMBL |
| μ | OPRM | Rat | Opioid | A | pKi | 6.24 | 8.18 | 8.82 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pKi | 5.99 | 6.13 | 6.24 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pKi | 6.71 | 6.71 | 6.71 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 8.28 | 8.59 | 8.96 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 8.72 | 9.09 | 9.41 | PDSP Ki database |
| δ | OPRD | Human | Opioid | A | pKi | 6.0 | 6.41 | 6.82 | PDSP Ki database |
| κ | OPRK | Human | Opioid | A | pKi | 6.59 | 6.83 | 7.07 | PDSP Ki database |
| κ | OPRK | Guinea pig | Opioid | A | pKi | 6.82 | 6.82 | 6.82 | PDSP Ki database |
| δ | A0A286XTF2 | Guinea pig | Opioid | A | pKi | 7.13 | 7.13 | 7.13 | PDSP Ki database |
| μ | OPRM | Mouse | Opioid | A | pKi | 9.03 | 9.19 | 9.35 | PDSP Ki database |
| μ | OPRM | Rat | Opioid | A | pKi | 8.89 | 8.89 | 8.89 | PDSP Ki database |
| δ | OPRD | Human | Opioid | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| κ | OPRK | Human | Opioid | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| δ | OPRD | Rat | Opioid | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| μ | OPRM | Rat | Opioid | A | pKi | 8.05 | 8.05 | 8.05 | Drug Central |
| κ | OPRK | Guinea pig | Opioid | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| μ | OPRM | Mouse | Opioid | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pKi | 4.68 | 4.68 | 4.68 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 4.58 | 4.58 | 4.58 | ChEMBL |
| D4 | DRD4 | Human | Dopamine | A | pKi | 6.26 | 6.26 | 6.26 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| H1 | HRH1 | Rat | Histamine | A | pIC50 | 4.7 | 4.7 | 4.7 | ChEMBL |
| δ | OPRD | Mouse | Opioid | A | pIC50 | 8.02 | 8.14 | 8.46 | ChEMBL |
| κ | OPRK | Guinea pig | Opioid | A | pIC50 | 5.23 | 5.23 | 5.23 | ChEMBL |
| μ | OPRM | Rat | Opioid | A | pIC50 | 5.9 | 7.41 | 8.91 | ChEMBL |
| μ | OPRM | Rat | Opioid | A | pEC50 | 7.49 | 7.49 | 7.49 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pIC50 | 6.37 | 6.61 | 6.73 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pIC50 | 5.8 | 5.8 | 5.8 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pIC50 | 7.97 | 8.37 | 8.89 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pEC50 | 7.28 | 7.89 | 9.29 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pEC50 | 8.05 | 8.05 | 8.05 | Drug Central |
| δ | OPRD | Mouse | Opioid | A | pIC50 | 8.1 | 8.1 | 8.1 | Drug Central |
| H1 | HRH1 | Rat | Histamine | A | pIC50 | 8.33 | 8.33 | 8.33 | Drug Central |