| Stem definition | Drug id | CAS RN |
|---|---|---|
| anti-inflammatory agents, ibuprofen derivatives | 311 | 51234-28-7 |
None
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Hosey CM, Chan R, Benet LZ |
| S (Water solubility) | 0.05 mg/mL | Bocci G, Oprea TI, Benet LZ |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| April 19, 1982 | FDA |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | M01AE06 | MUSCULO-SKELETAL SYSTEM ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS Propionic acid derivatives |
| 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 | D003879 | Dermatologic Agents |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D016859 | Lipoxygenase Inhibitors |
| 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:50748 | antipsoriatic drug |
| CHEBI has role | CHEBI:50908 | agente hepatotoxico |
| CHEBI has role | CHEBI:61015 | nephrotoxins |
| CHEBI has role | CHEBI:64018 | protein kinase C agonists |
| CHEBI has role | CHEBI:64964 | 5delta-lipoxygenase inhibitor |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Rheumatoid arthritis | indication | 69896004 | DOID:7148 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 3.05 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Arachidonate 5-lipoxygenase | Enzyme | INHIBITOR | KEGG DRUG | KEGG DRUG | |||||
| Bile salt export pump | Transporter | IC50 | 4 | CHEMBL |
| ID | Source |
|---|---|
| D03080 | KEGG_DRUG |
| 70062-36-1 | SECONDARY_CAS_RN |
| 51234-86-7 | SECONDARY_CAS_RN |
| C0053111 | UMLSCUI |
| CHEBI:76114 | CHEBI |
| CHEMBL340978 | ChEMBL_ID |
| DB04812 | DRUGBANK_ID |
| C011677 | MESH_SUPPLEMENTAL_RECORD_UI |
| 39941 | PUBCHEM_CID |
| 3896 | INN_ID |
| 17SZX404IM | UNII |
| 396197001 | SNOMEDCT_US |
| 002390 | NDDF |
None