| 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
None
None
| 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 |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 4.62 | acidic |
| pKa2 | 7.03 | acidic |
None
None
| 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