| Stem definition | Drug id | CAS RN |
|---|---|---|
| anti-inflammatory, isoxicam derivatives | 1509 | 34552-84-6 |
| Molecule | Description |
|---|---|
|
Synonyms:
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None
| Property | Value | Reference |
|---|---|---|
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 17.04 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 97 % | 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) | 0.07 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.04 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 33 hours | Lombardo F, Berellini G, Obach RS |
| S (Water solubility) | 0.03 mg/mL | Bocci G, Oprea TI, Benet LZ |
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Bocci G, Oprea TI, Benet LZ |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 1, 1983 | YEAR INTRODUCED |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| 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:35842 | anti-rheumatic drugs |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 3.97 | acidic |
| pKa2 | 7.73 | 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 | 5.20 | WOMBAT-PK | |||||
| Prostaglandin G/H synthase 1 | Enzyme | IC50 | 5.10 | WOMBAT-PK |
| ID | Source |
|---|---|
| D04639 | KEGG_DRUG |
| C0064104 | UMLSCUI |
| CHEBI:76163 | CHEBI |
| ICD | PDB_CHEM_ID |
| CHEMBL53292 | ChEMBL_ID |
| DB08942 | DRUGBANK_ID |
| C013580 | MESH_SUPPLEMENTAL_RECORD_UI |
| 54677972 | PUBCHEM_CID |
| 3435 | INN_ID |
| 8XU734C4NG | UNII |
| 008283 | NDDF |
None