Stem definition | Drug id | CAS RN |
---|---|---|
anti-inflammatory analgesics, phenylbutazone derivatives | 2036 | 129-20-4 |
Dose | Unit | Route |
---|---|---|
0.30 | g | O |
0.30 | g | R |
Property | Value | Reference |
---|---|---|
MRTD (Maximum Recommended Therapeutic Daily Dose) | 35.23 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
S (Water solubility) | 1 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 |
---|---|---|---|
Dec. 21, 1960 | FDA |
None
None
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Source | Code | Description |
---|---|---|
ATC | M01AA03 | MUSCULO-SKELETAL SYSTEM ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS Butylpyrazolidines |
ATC | M02AA04 | MUSCULO-SKELETAL SYSTEM TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN Antiinflammatory preparations, non-steroids for topical use |
ATC | S01BC02 | SENSORY ORGANS OPHTHALMOLOGICALS ANTIINFLAMMATORY AGENTS Antiinflammatory 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 | D018373 | Peripheral Nervous System Agents |
MeSH PA | D018689 | Sensory System Agents |
CHEBI has role | CHEBI:33281 | antibiotics |
CHEBI has role | CHEBI:35475 | non-steroidal anti-inflammatory agent |
CHEBI has role | CHEBI:35493 | anti-pyretic |
CHEBI has role | CHEBI:35610 | antineoplastic agents |
CHEBI has role | CHEBI:35845 | gout suppressants |
CHEBI has role | CHEBI:49103 | drug metabolites |
CHEBI has role | CHEBI:76206 | xenobiotic metabolites |
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Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 4.62 | acidic |
pKa2 | 7.03 | acidic |
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Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Cyclooxygenase | Enzyme | INHIBITOR | CHEMBL | CHEMBL | |||||
fMet-Leu-Phe receptor | GPCR | WOMBAT-PK | |||||||
Prostacyclin synthase | Enzyme | WOMBAT-PK | |||||||
Nicotinate phosphoribosyltransferase | Enzyme | Ki | 9.52 | CHEMBL |
ID | Source |
---|---|
4019078 | VUID |
N0000147339 | NUI |
D08324 | KEGG_DRUG |
4019078 | VANDF |
C0030078 | UMLSCUI |
CHEBI:76259 | CHEBI |
OPB | PDB_CHEM_ID |
CHEMBL1228 | ChEMBL_ID |
CHEMBL3989676 | ChEMBL_ID |
DB03585 | DRUGBANK_ID |
D010113 | MESH_DESCRIPTOR_UI |
4641 | PUBCHEM_CID |
H806S4B3NS | UNII |
7816 | RXNORM |
002376 | NDDF |
387269008 | SNOMEDCT_US |
49267000 | SNOMEDCT_US |
7081-38-1 | SECONDARY_CAS_RN |
None