| Stem definition | Drug id | CAS RN |
|---|---|---|
| anti-inflammatory analgesics, phenylbutazone derivatives | 171 | 58-15-1 |
| Dose | Unit | Route |
|---|---|---|
| 0.50 | g | R |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 55.55 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 247.05 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 1, 1964 | YEAR INTRODUCED |
None
None
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| Source | Code | Description |
|---|---|---|
| ATC | N02BB03 | NERVOUS SYSTEM ANALGESICS OTHER ANALGESICS AND ANTIPYRETICS Pyrazolones |
| ATC | N02BB53 | NERVOUS SYSTEM ANALGESICS OTHER ANALGESICS AND ANTIPYRETICS Pyrazolones |
| ATC | N02BB73 | NERVOUS SYSTEM ANALGESICS OTHER ANALGESICS AND ANTIPYRETICS Pyrazolones |
| 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:35493 | anti-pyretic |
| CHEBI has role | CHEBI:35703 | Xenobiotic |
| CHEBI has role | CHEBI:78298 | environmental contaminants |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 5.06 | 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 | |||||||
| Nicotinate phosphoribosyltransferase | Enzyme | Ki | 9 | CHEMBL |
| ID | Source |
|---|---|
| N0000167058 | NUI |
| D00556 | KEGG_DRUG |
| 695 | RXNORM |
| C0002586 | UMLSCUI |
| CHEBI:160246 | CHEBI |
| CHEMBL288470 | ChEMBL_ID |
| DB01424 | DRUGBANK_ID |
| 6009 | PUBCHEM_CID |
| 375 | INN_ID |
| 01704YP3MO | UNII |
| 65458000 | SNOMEDCT_US |
| D000632 | MESH_DESCRIPTOR_UI |
| D000983 | MESH_DESCRIPTOR_UI |
| 001608 | NDDF |
None