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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 1253 | 149-17-7 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ALK,AURKA,AURKB,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,CHEK1,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK1,GRK2,GRK3,GSK3B,ITK,JAK1,JAK2,KIT,MAP2K6,MAP3K1,MAP3K21,MAP3K7,MAP4K1,MAPK1,MAPK12,MAPK7,MAPK9,MAPKAPK2,MARK4,MTOR,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1 | 58 | |||
| kinase-selectivity-class | ACVR2A,ACVR2B,ALK,AXL,BRAF,CAMK2B,CAMK2D,CDK1,CDK9,DDR1,DYRK1B,EPHB4,ERBB2,ERBB4,GRK2,GSK3B,IRAK1,IRAK3,JAK1,MAP2K3,MAP2K6,MAP3K21,MAP4K1,MAP4K3,MAPK7,MARK4,MINK1,PIK3CB,PIK3CD,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TNIK,TTK,ULK1,ULK2 | 41 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| Source | Code | Description |
|---|---|---|
| ATC | J04AC02 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIMYCOBACTERIALS DRUGS FOR TREATMENT OF TUBERCULOSIS Hydrazides |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000900 | Anti-Bacterial Agents |
| MeSH PA | D000960 | Hypolipidemic Agents |
| MeSH PA | D000963 | Antimetabolites |
| MeSH PA | D000995 | Antitubercular Agents |
| MeSH PA | D054872 | Fatty Acid Synthesis Inhibitors |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Tuberculosis | indication | 56717001 |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.51 | acidic |
| pKa2 | 10.3 | acidic |
| pKa3 | 4.53 | Basic |
| pKa4 | 3.56 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Myeloperoxidase | Enzyme | IC50 | 6.34 | CHEMBL |
| ID | Source |
|---|---|
| C0086317 | UMLSCUI |
| CHEMBL2105120 | ChEMBL_ID |
| 135412163 | PUBCHEM_CID |
| 1087 | INN_ID |
| 40Q4C3O4V0 | UNII |
| D007538 | MESH_DESCRIPTOR_UI |
| CHEBI:135117 | CHEBI |
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