| Stem definition | Drug id | CAS RN |
|---|---|---|
| anti-inflammatory, isoxicam derivatives | 2595 | 59804-37-4 |
| Molecule | Description |
|---|---|
|
Synonyms:
|
|
| Dose | Unit | Route |
|---|---|---|
| 20 | mg | O |
| 20 | mg | P |
| 20 | mg | R |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 0.80 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 0.10 % | Benet LZ, Broccatelli F, Oprea TI |
| BA (Bioavailability) | 99 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 0.19 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 0.03 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) | 67 hours | Lombardo F, Berellini G, Obach RS |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 1, 1987 | YEAR INTRODUCED |
None
None
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Sebaceous gland disorder | 56.55 | 56.15 | 6 | 209 | 61 | 79744112 |
None
| Source | Code | Description |
|---|---|---|
| ATC | M01AC02 | MUSCULO-SKELETAL SYSTEM ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS Oxicams |
| 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:35493 | anti-pyretic |
| CHEBI has role | CHEBI:35544 | cyclooxygenase inhibitors |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Arthritis | indication | 3723001 | DOID:848 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 1.25 | acidic |
| pKa2 | 8.43 | acidic |
| pKa3 | 5.18 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | Enzyme | WOMBAT-PK | |||||||
| Prostaglandin G/H synthase 1 | Enzyme | IC50 | 5.94 | DRUG MATRIX |
| ID | Source |
|---|---|
| D01767 | KEGG_DRUG |
| C0076096 | UMLSCUI |
| CHEBI:32192 | CHEBI |
| CHEMBL302795 | ChEMBL_ID |
| DB00469 | DRUGBANK_ID |
| C032801 | MESH_SUPPLEMENTAL_RECORD_UI |
| 54677971 | PUBCHEM_CID |
| 4915 | INN_ID |
| Z1R9N0A399 | UNII |
| 196497 | RXNORM |
| 003632 | NDDF |
| 329913008 | SNOMEDCT_US |
| 395898001 | SNOMEDCT_US |
None