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| Stem definition | Drug id | CAS RN |
|---|---|---|
| anti-inflammatory agents, ibufenac derivatives | 43 | 89796-99-6 |
| Molecule | Description |
|---|---|
|
Synonyms:
|
|
| Dose | Unit | Route |
|---|---|---|
| 0.20 | g | O |
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,ERBB2,GRK2,IKBKB,ITK,MAP2K6,MAP3K21,MAP3K7,MAPK7,MAPKAPK2,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PIK3CD,PIK3CG,PRKDC,SIK2,STK33,TEK,TGFBR1,TTK | 36 | |||
| kinase-selectivity-class | ACVR2B,AXL,BRAF,CDK9,DDR1,EPHB4,GRK2,MAP2K6,MAPK7,PDK4,SIK2,STK33 | 12 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pld-class | Phospholipidosis risk class (1 = positive, 0 = negative) | 0 | Moderate | 0.75 | |
| rat-kpuu-brain | Rat brain Kpuu | 0.015 | % | Moderate | 0.75 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| None | FDA |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Hyperreflexia | 82.83 | 34.99 | 18 | 899 | 6639 | 90620891 |
| Apraxia | 63.25 | 34.99 | 12 | 905 | 2250 | 90625280 |
| Perseveration | 55.46 | 34.99 | 8 | 909 | 277 | 90627253 |
| Vitreous detachment | 38.51 | 34.99 | 8 | 909 | 2370 | 90625160 |
| Myoclonus | 37.77 | 34.99 | 12 | 905 | 19156 | 90608374 |
| Drug interaction | 35.06 | 34.99 | 26 | 891 | 276427 | 90351103 |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Cutaneous symptom | 35.23 | 31.65 | 6 | 640 | 407 | 42620282 |
| Meningioma | 32.19 | 31.65 | 7 | 639 | 1720 | 42618969 |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Amaurosis fugax | 77.20 | 31.99 | 16 | 2184 | 2374 | 110584725 |
| Hyperreflexia | 64.31 | 31.99 | 18 | 2182 | 9467 | 110577632 |
| Urinary tract disorder | 53.23 | 31.99 | 14 | 2186 | 5830 | 110581269 |
| Ocular discomfort | 52.44 | 31.99 | 15 | 2185 | 8518 | 110578581 |
| Apraxia | 49.76 | 31.99 | 12 | 2188 | 3528 | 110583571 |
| Haemorrhagic stroke | 49.39 | 31.99 | 16 | 2184 | 13773 | 110573326 |
| Perseveration | 46.81 | 31.99 | 8 | 2192 | 419 | 110586680 |
| Head discomfort | 40.64 | 31.99 | 15 | 2185 | 18985 | 110568114 |
| Altered state of consciousness | 38.41 | 31.99 | 20 | 2180 | 57606 | 110529493 |
| Haematuria | 34.14 | 31.99 | 21 | 2179 | 82984 | 110504115 |
| Generalised oedema | 33.67 | 31.99 | 15 | 2185 | 30689 | 110556410 |
| Eye pain | 32.28 | 31.99 | 17 | 2183 | 50082 | 110537017 |
| Vitreous detachment | 32.20 | 31.99 | 8 | 2192 | 2657 | 110584442 |
None
| Source | Code | Description |
|---|---|---|
| ATC | M01AB16 | MUSCULO-SKELETAL SYSTEM ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS Acetic acid derivatives and related substances |
| ATC | M02AA25 | MUSCULO-SKELETAL SYSTEM TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN Antiinflammatory preparations, non-steroids for topical use |
| MeSH PA | D000700 | Analgesics |
| MeSH PA | D000893 | Anti-Inflammatory Agents |
| MeSH PA | D000894 | Anti-Inflammatory Agents, Non-Steroidal |
| MeSH PA | D018373 | Peripheral Nervous System Agents |
| MeSH PA | D018501 | Antirheumatic Agents |
| MeSH PA | D018689 | Sensory System Agents |
| MeSH PA | D018712 | Analgesics, Non-Narcotic |
| CHEBI has role | CHEBI:35475 | non-steroidal anti-inflammatory drug |
| CHEBI has role | CHEBI:35481 | non-narcotic analgesic |
| CHEBI has role | CHEBI:35544 | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor |
| CHEBI has role | CHEBI:35842 | antirheumatic drug |
| CHEBI has role | CHEBI:67079 | anti-inflammatory agent |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Ankylosing spondylitis | indication | 9631008 | DOID:7147 |
| Rheumatoid arthritis | indication | 69896004 | DOID:7148 |
| Backache | indication | 161891005 | |
| Osteoarthritis | indication | 396275006 | |
| Adhesive capsulitis of shoulder | indication | 399114005 | DOID:14188 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 3.37 | acidic |
| pKa2 | 1.38 | 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 | INHIBITOR | DRUG LABEL | SCIENTIFIC LITERATURE | |||||
| Transthyretin | Secreted | Kd | 5.92 | CHEMBL | |||||
| Mitogen-activated protein kinase 1 | Kinase | IC50 | 5.23 | DRUG MATRIX | |||||
| Aldose reductase | Enzyme | IC50 | 5.89 | DRUG MATRIX |
| ID | Source |
|---|---|
| D01545 | KEGG_DRUG |
| 16689 | RXNORM |
| C0050403 | UMLSCUI |
| CHEBI:31159 | CHEBI |
| CHEMBL93645 | ChEMBL_ID |
| DB06736 | DRUGBANK_ID |
| C056498 | MESH_SUPPLEMENTAL_RECORD_UI |
| 71771 | PUBCHEM_CID |
| 5608 | INN_ID |
| RPK779R03H | UNII |
| 005957 | NDDF |
| 329923004 | SNOMEDCT_US |
| 391703003 | SNOMEDCT_US |
| RPK779R03H | INXIGHT DRUGS |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| ClanzaCR | HUMAN PRESCRIPTION DRUG LABEL | 1 | 65697-450 | TABLET, FILM COATED | 200 mg | ORAL | Export only | 15 sections |