| Stem definition | Drug id | CAS RN |
|---|---|---|
| anti-inflammatory agents, ibuprofen derivatives | 1442 | 31842-01-0 |
None
| Property | Value | Reference |
|---|---|---|
| Vd (Volume of distribution) | 0.12 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 0.65 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.01 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 2.11 hours | Lombardo F, Berellini G, Obach RS |
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | M01AE10 | MUSCULO-SKELETAL SYSTEM ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS Propionic acid derivatives |
| MeSH PA | D000700 | Analgesics |
| MeSH PA | D018712 | Analgesics, Non-Narcotic |
| MeSH PA | D000893 | Anti-Inflammatory Agents |
| MeSH PA | D000894 | Anti-Inflammatory Agents, Non-Steroidal |
| MeSH PA | D018501 | Antirheumatic Agents |
| MeSH PA | D016861 | Cyclooxygenase Inhibitors |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D018373 | Peripheral Nervous System Agents |
| MeSH PA | D018689 | Sensory System Agents |
| CHEBI has role | CHEBI:35475 | non-steroidal anti-inflammatory agent |
| CHEBI has role | CHEBI:35544 | cyclooxygenase inhibitors |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 4.08 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Pyruvate kinase PKM | Enzyme | IC50 | 4.68 | CHEMBL | |||||
| Fatty acid-binding protein, liver | Unclassified | Ki | 5.90 | CHEMBL | |||||
| Luciferin 4-monooxygenase | Enzyme | IC50 | 6.70 | CHEMBL |
| ID | Source |
|---|---|
| D04530 | KEGG_DRUG |
| C0021251 | UMLSCUI |
| CHEBI:76162 | CHEBI |
| CHEMBL15870 | ChEMBL_ID |
| CHEMBL264931 | ChEMBL_ID |
| DB08951 | DRUGBANK_ID |
| D007216 | MESH_DESCRIPTOR_UI |
| 3718 | PUBCHEM_CID |
| 3689 | INN_ID |
| CPE46ZU14N | UNII |
| 002385 | NDDF |
None