Stem definition | Drug id | CAS RN |
---|---|---|
anti-inflammatory, isoxicam derivatives | 1509 | 34552-84-6 |
Molecule | Description |
---|---|
Synonyms:
|
|
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