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| Stem definition | Drug id | CAS RN |
|---|---|---|
| anti-inflammatory, indometacin derivatives | 698 | 25803-14-9 |
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| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Hosey CM, Chan R, Benet LZ |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,EIF2AK3,GRK2,PDK1,PDK2,PDK4,PIK3CG,PRKDC | 8 | |||
| kinase-selectivity-class | PDK4 | 1 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| Source | Code | Description |
|---|---|---|
| MeSH PA | D000700 | Analgesics |
| MeSH PA | D002491 | Central Nervous System Agents |
| MeSH PA | D018373 | Peripheral Nervous System Agents |
| MeSH PA | D018689 | Sensory System Agents |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 3.92 | acidic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Prostaglandin-H2 D-isomerase | Enzyme | IC50 | 6.70 | CHEMBL |
| ID | Source |
|---|---|
| C0055922 | UMLSCUI |
| CHEBI:135512 | CHEBI |
| CHEMBL13376 | ChEMBL_ID |
| C017136 | MESH_SUPPLEMENTAL_RECORD_UI |
| 33176 | PUBCHEM_CID |
| 3041 | INN_ID |
| L9M34YK25C | UNII |
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