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| Stem definition | Drug id | CAS RN |
|---|---|---|
| anti-inflammatory agents, ibuprofen derivatives | 2238 | 52549-17-4 |
| Molecule | Description |
|---|---|
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Synonyms:
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,EIF2AK3,GRK2,PDK1,PDK2,PDK4,PRKDC,TGFBR1 | 8 | |||
| kinase-selectivity-class | AXL,BRAF,EIF2AK3,GRK2,MAP2K6 | 5 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| Source | Code | Description |
|---|---|---|
| ATC | S01BC09 | 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 | D006074 | Gout Suppressants |
| 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:66981 | ophthalmology drug |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 4.34 | acidic |
| pKa2 | 5.55 | 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 1 | Enzyme | IC50 | 5.51 | CHEMBL | |||||
| Prostaglandin G/H synthase 1 | Enzyme | IC50 | 6.41 | CHEMBL |
| ID | Source |
|---|---|
| D01578 | KEGG_DRUG |
| C0072652 | UMLSCUI |
| CHEBI:32040 | CHEBI |
| CHEMBL367463 | ChEMBL_ID |
| DB13514 | DRUGBANK_ID |
| 4888 | PUBCHEM_CID |
| C043940 | MESH_SUPPLEMENTAL_RECORD_UI |
| 4298 | INN_ID |
| 2R7O1ET613 | UNII |
| 009072 | NDDF |
| 713470006 | SNOMEDCT_US |
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