| Stem definition | Drug id | CAS RN |
|---|---|---|
| selective cyclo-oxygenase inhibitors | 1618 | 220991-20-8 |
| Dose | Unit | Route |
|---|---|---|
| 0.10 | g | O |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Hosey CM, Chan R, Benet LZ |
| BA (Bioavailability) | 74 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| S (Water solubility) | 0.01 mg/mL | Bocci G, Oprea TI, Benet LZ |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Sept. 12, 2003 | UK Medicines and Healthcare Products Regulatory Agency (MHRA) | Novartis Pharmaceuticals UK Limited |
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None
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| Source | Code | Description |
|---|---|---|
| ATC | M01AH06 | MUSCULO-SKELETAL SYSTEM ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS Coxibs |
| 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 | D052246 | Cyclooxygenase 2 Inhibitors |
| 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:50629 | COX-2 inhibitor |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Osteoarthritis | indication | 396275006 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 4.24 | acidic |
| pKa2 | 0.42 | Basic |
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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 | Ki | 6.49 | CHEMBL | SCIENTIFIC LITERATURE | |||
| Prostaglandin G/H synthase 1 | Enzyme | IC50 | 8.15 | CHEMBL | |||||
| Prostaglandin G/H synthase 2 | Enzyme | IC50 | 7.40 | CHEMBL |
| ID | Source |
|---|---|
| D03714 | KEGG_DRUG |
| C1176415 | UMLSCUI |
| CHEBI:73044 | CHEBI |
| LUR | PDB_CHEM_ID |
| CHEMBL404108 | ChEMBL_ID |
| DB01283 | DRUGBANK_ID |
| C473384 | MESH_SUPPLEMENTAL_RECORD_UI |
| 151166 | PUBCHEM_CID |
| 2897 | IUPHAR_LIGAND_ID |
| 8151 | INN_ID |
| V91T9204HU | UNII |
| 011158 | NDDF |
| 422506000 | SNOMEDCT_US |
| 424967004 | SNOMEDCT_US |
None