| Stem definition | Drug id | CAS RN |
|---|---|---|
| 4728 | 120210-48-2 |
| Molecule | Description |
|---|---|
|
Synonyms:
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None
| Property | Value | Reference |
|---|---|---|
| Vd (Volume of distribution) | 0.11 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 0.06 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) | 22.70 hours | Lombardo F, Berellini G, Obach RS |
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | M01AX23 | MUSCULO-SKELETAL SYSTEM ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS Other antiinflammatory and antirheumatic agents, non-steroids |
| 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 |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Rheumatoid arthritis | indication | 69896004 | DOID:7148 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 7.03 | acidic |
| pKa2 | 13.31 | 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 | IC50 | 6.57 | DRUG MATRIX | |||||
| Prostaglandin G/H synthase 1 | Enzyme | IC50 | 7.26 | DRUG MATRIX | |||||
| Cytochrome P450 2C9 | Enzyme | IC50 | 6.16 | DRUG MATRIX | |||||
| Cytochrome P450 1A2 | Enzyme | IC50 | 6 | DRUG MATRIX | |||||
| Inward rectifier potassium channel 4 | Ion channel | ACTIVATOR | EC50 | 6.40 | IUPHAR | ||||
| Arachidonate 5-lipoxygenase | Enzyme | IC50 | 5.05 | CHEMBL | |||||
| Prostaglandin G/H synthase 1 | Enzyme | IC50 | 5.59 | CHEMBL | |||||
| Prostaglandin G/H synthase 2 | Enzyme | IC50 | 5.08 | CHEMBL | |||||
| Cyclooxygenase | Enzyme | IC50 | 8 | CHEMBL |
| ID | Source |
|---|---|
| D06072 | KEGG_DRUG |
| 119784-94-0 | SECONDARY_CAS_RN |
| CHEBI:35847 | CHEBI |
| I2U | PDB_CHEM_ID |
| CHEMBL1908355 | ChEMBL_ID |
| CHEMBL2104833 | ChEMBL_ID |
| C062866 | MESH_SUPPLEMENTAL_RECORD_UI |
| 2395 | IUPHAR_LIGAND_ID |
| 6421 | INN_ID |
| DB13481 | DRUGBANK_ID |
| 9K7CJ74ONH | UNII |
| 008173 | NDDF |
| 008174 | NDDF |
| C0076092 | UMLSCUI |
| 60712 | PUBCHEM_CID |
None