Stem definition | Drug id | CAS RN |
---|---|---|
2311 | 22760-18-5 |
Dose | Unit | Route |
---|---|---|
0.90 | g | O |
0.90 | g | R |
Property | Value | Reference |
---|---|---|
MRTD (Maximum Recommended Therapeutic Daily Dose) | 71.85 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
BA (Bioavailability) | 7 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
Vd (Volume of distribution) | 0.52 L/kg | Lombardo F, Berellini G, Obach RS |
CL (Clearance) | 9.45 mL/min/kg | Lombardo F, Berellini G, Obach RS |
fu (Fraction unbound in plasma) | 0.02 % | Lombardo F, Berellini G, Obach RS |
t_half (Half-life) | 1.27 hours | Lombardo F, Berellini G, Obach RS |
None
None
None
None
None
Source | Code | Description |
---|---|---|
ATC | M01AX13 | 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 | D002491 | Central Nervous System Agents |
MeSH PA | D016861 | Cyclooxygenase Inhibitors |
MeSH PA | D004791 | Enzyme Inhibitors |
MeSH PA | D018373 | Peripheral Nervous System Agents |
MeSH PA | D018689 | Sensory System Agents |
None
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 1.74 | 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 | WOMBAT-PK | |||||||
Epidermal growth factor receptor | Kinase | IC50 | 8.70 | CHEMBL | |||||
Cyclooxygenase | Enzyme | IC50 | 7.15 | CHEMBL |
ID | Source |
---|---|
D05638 | KEGG_DRUG |
C0072247 | UMLSCUI |
CHEBI:135151 | CHEBI |
CHEMBL268501 | ChEMBL_ID |
DB13649 | DRUGBANK_ID |
C011385 | MESH_SUPPLEMENTAL_RECORD_UI |
31508 | PUBCHEM_CID |
3176 | INN_ID |
42VPJ2980S | UNII |
010966 | NDDF |
None