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| Stem definition | Drug id | CAS RN |
|---|---|---|
| anti-inflammatory agents, ibuprofen derivatives | 2165 | 60576-13-8 |
| Molecule | Description |
|---|---|
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Synonyms:
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ALK,AURKA,AURKB,AXL,BMX,BRAF,CAMK2B,CAMK2D,CDK1,CDK14,CDK16,CDK19,CDK2,CDK3,CDK5,CDK6,CDK7,CDK9,CLK4,CSF1R,DDR1,DYRK1A,DYRK1B,EGFR,EIF2AK3,EPHA2,EPHB4,ERBB2,FLT3,GRK1,GRK2,GSK3A,GSK3B,IRAK1,ITK,JAK1,KDR,KIT,LYN,MAP3K1,MAP3K10,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK1,MAPK11,MAPK14,MAPK7,MAPK9,MAPKAPK2,MARK4,MET,NTRK1,NTRK2,PDK2,PDK4,PIK3CD,PIK3CG,PRKCD,PRKDC,SGK1,SIK2,SIK3,STK33,SYK,TEK,TTK,TYRO3,ULK1,ULK2 | 73 | |||
| kinase-selectivity-class | ACVR2B,AURKA,AXL,BRAF,CAMK2D,CDK1,CDK9,DDR1,DYRK1B,ERBB2,GRK2,JAK1,MAP3K21,MAPK7,PIK3CD,SIK2,SIK3,STK33 | 18 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| Source | Code | Description |
|---|---|---|
| ATC | M02AA28 | MUSCULO-SKELETAL SYSTEM TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN Antiinflammatory preparations, non-steroids for topical use |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Pain | indication | 22253000 |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 11.9 | acidic |
| pKa2 | 4.17 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | Enzyme | INHIBITOR | KEGG DRUG | KEGG DRUG | |||||
| Prostaglandin G/H synthase 1 | Enzyme | INHIBITOR | KEGG DRUG | KEGG DRUG |
| ID | Source |
|---|---|
| D08374 | KEGG_DRUG |
| C0285260 | UMLSCUI |
| CHEBI:135455 | CHEBI |
| CHEMBL2106966 | ChEMBL_ID |
| C048832 | MESH_SUPPLEMENTAL_RECORD_UI |
| 68801 | PUBCHEM_CID |
| 4556 | INN_ID |
| 362QBC4NL0 | UNII |
| 82910 | RXNORM |
| 009027 | NDDF |
| 136501000146105 | SNOMEDCT_US |
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