| Stem definition | Drug id | CAS RN |
|---|---|---|
| anti-inflammatory agents, ibufenac derivatives | 107 | 22131-79-9 |
| Dose | Unit | Route |
|---|---|---|
| 1.25 | g | O |
| 1.25 | g | R |
| Property | Value | Reference |
|---|---|---|
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 7.37 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Hosey CM, Chan R, Benet LZ |
| S (Water solubility) | 0.01 mg/mL | Bocci G, Oprea TI, Benet LZ |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 1, 1969 | YEAR INTRODUCED |
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| Source | Code | Description |
|---|---|---|
| ATC | M01AB06 | MUSCULO-SKELETAL SYSTEM ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS Acetic acid derivatives and related substances |
| 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 | 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:88188 | allergenic drug |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Ankylosing spondylitis | indication | 9631008 | DOID:7147 |
| Pain | indication | 22253000 | |
| Rheumatoid arthritis | indication | 69896004 | DOID:7148 |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 4.42 | acidic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | Enzyme | INHIBITOR | WOMBAT-PK | DRUGBANK | |||||
| Prostaglandin G/H synthase 1 | Enzyme | WOMBAT-PK |
| ID | Source |
|---|---|
| D01252 | KEGG_DRUG |
| C0001937 | UMLSCUI |
| CHEBI:31183 | CHEBI |
| CHEMBL94081 | ChEMBL_ID |
| DB13167 | DRUGBANK_ID |
| 30951 | PUBCHEM_CID |
| C084615 | MESH_SUPPLEMENTAL_RECORD_UI |
| 2826 | INN_ID |
| M9CP5H21N8 | UNII |
None