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| Stem definition | Drug id | CAS RN |
|---|---|---|
| anti-inflammatory agents, ibuprofen derivatives | 126 | 39718-89-3 |
| Molecule | Description |
|---|---|
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Synonyms:
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,DYRK1B,EGFR,EIF2AK3,ERBB2,GRK2,GRK3,IKBKB,ITK,JAK2,MAP2K6,MAPK10,MAPK7,MAPKAPK2,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PRKDC,STK33,SYK,TEK,TGFBR1,TTK | 33 | |||
| kinase-selectivity-class | AXL,EIF2AK3,GRK2,MAP2K6,TEK | 5 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| Source | Code | Description |
|---|---|---|
| ATC | M01AE16 | MUSCULO-SKELETAL SYSTEM ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS Propionic acid derivatives |
| 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:35493 | antipyretic |
| CHEBI has role | CHEBI:35842 | antirheumatic drug |
| CHEBI has role | CHEBI:50469 | EC 3.1.1.4 (phospholipase A<small><sub>2</sub></small>) inhibitor |
| CHEBI has role | CHEBI:50629 | cyclooxygenase 2 inhibitor |
| CHEBI has role | CHEBI:64964 | EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 4.33 | acidic |
| pKa2 | 5.16 | Basic |
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| ID | Source |
|---|---|
| D01513 | KEGG_DRUG |
| 17387 | RXNORM |
| C0051247 | UMLSCUI |
| CHEBI:31190 | CHEBI |
| CHEMBL1765293 | ChEMBL_ID |
| DB13314 | DRUGBANK_ID |
| 2097 | PUBCHEM_CID |
| C027953 | MESH_SUPPLEMENTAL_RECORD_UI |
| 4570 | INN_ID |
| 0255AHR9GJ | UNII |
| 005223 | NDDF |
| 713469005 | SNOMEDCT_US |
| 0255AHR9GJ | INXIGHT DRUGS |
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