| Stem definition | Drug id | CAS RN |
|---|---|---|
| non-steroidal anti-inflammatory agents, arylbutanoic acid derivatives | 1145 | 36330-85-5 |
| Dose | Unit | Route |
|---|---|---|
| 0.60 | g | O |
| Property | Value | Reference |
|---|---|---|
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 50.56 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 78 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | M01AE05 | 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 |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 4.68 | acidic |
None
None
| 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 | SCIENTIFIC LITERATURE | |||||
| Prostaglandin G/H synthase 1 | Enzyme | INHIBITOR | WOMBAT-PK | SCIENTIFIC LITERATURE | |||||
| Prostaglandin G/H synthase 1 | Enzyme | IC50 | 5.41 | CHEMBL | |||||
| Prostaglandin G/H synthase 2 | Enzyme | IC50 | 5.09 | CHEMBL |
| ID | Source |
|---|---|
| D01344 | KEGG_DRUG |
| C0060156 | UMLSCUI |
| CHEBI:31599 | CHEBI |
| CHEMBL277522 | ChEMBL_ID |
| DB08981 | DRUGBANK_ID |
| C010725 | MESH_SUPPLEMENTAL_RECORD_UI |
| 3335 | PUBCHEM_CID |
| 3439 | INN_ID |
| 9815R1WR9B | UNII |
| 151967 | RXNORM |
| 004090 | NDDF |
| 329623001 | SNOMEDCT_US |
| 396052008 | SNOMEDCT_US |
None