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| Stem definition | Drug id | CAS RN |
|---|---|---|
| anti-inflammatory agents, ibufenac derivatives | 303 | 20187-55-7 |
| Molecule | Description |
|---|---|
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Synonyms:
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| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Bocci G, Oprea TI, Benet LZ |
| S (Water solubility) | 86 mg/mL | Bocci G, Oprea TI, Benet LZ |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,ERBB2,GRK2,ITK,MAP2K6,MAP3K21,MAP3K7,MAPK7,MAPKAPK2,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PRKDC,SIK2,STK33,SYK,TEK,TGFBR1 | 32 | |||
| kinase-selectivity-class | AXL | 1 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| Source | Code | Description |
|---|---|---|
| ATC | M02AA11 | 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 | S01BC07 | SENSORY ORGANS OPHTHALMOLOGICALS ANTIINFLAMMATORY AGENTS Antiinflammatory agents, non-steroids |
| 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 |
| MeSH PA | D000960 | Hypolipidemic Agents |
| MeSH PA | D000963 | Antimetabolites |
| MeSH PA | D057847 | Lipid Regulating Agents |
| CHEBI has role | CHEBI:35475 | non-steroidal anti-inflammatory drug |
| CHEBI has role | CHEBI:48578 | radical scavenger |
| CHEBI has role | CHEBI:66981 | ophthalmology drug |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 3.23 | acidic |
| pKa2 | 1.44 | Basic |
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| ID | Source |
|---|---|
| D01594 | KEGG_DRUG |
| 81919-14-4 | SECONDARY_CAS_RN |
| C0053097 | UMLSCUI |
| CHEBI:31257 | CHEBI |
| CHEMBL1089221 | ChEMBL_ID |
| CHEMBL1089222 | ChEMBL_ID |
| DB13501 | DRUGBANK_ID |
| C000123 | MESH_SUPPLEMENTAL_RECORD_UI |
| 2313 | PUBCHEM_CID |
| C036067 | MESH_SUPPLEMENTAL_RECORD_UI |
| 2654 | INN_ID |
| G4AG71204O | UNII |
| 010873 | NDDF |
| 010892 | NDDF |
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