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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 1670 | 503-49-1 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,IKBKB,ITK,JAK1,JAK2,JAK3,KDR,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAPK10,MAPK7,MAPKAPK2,MTOR,NTRK1,NTRK2,PDK1,PDK2,PDK4,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ZAP70 | 58 | |||
| kinase-selectivity-class | ACVR2B,AXL,BRAF,CDK9,EIF2AK3,GRK2,MAP2K6,MAPK7,PRKDC,STK33,TEK,TGFBR1 | 12 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| Source | Code | Description |
|---|---|---|
| ATC | C10AX05 | CARDIOVASCULAR SYSTEM LIPID MODIFYING AGENTS LIPID MODIFYING AGENTS, PLAIN Other lipid modifying agents |
| MeSH PA | D000924 | Anticholesteremic Agents |
| MeSH PA | D000960 | Hypolipidemic Agents |
| MeSH PA | D000963 | Antimetabolites |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D019161 | Hydroxymethylglutaryl-CoA Reductase Inhibitors |
| MeSH PA | D057847 | Lipid Regulating Agents |
| CHEBI has role | CHEBI:35221 | antimetabolite |
| CHEBI has role | CHEBI:35664 | hydroxymethylglutaryl-CoA reductase inhibitors |
| CHEBI has role | CHEBI:35821 | anticholesteremic drugs |
| CHEBI has role | CHEBI:76924 | plant metabolites |
| CHEBI has role | CHEBI:77746 | Homo sapiens metabolite |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 3.95 | acidic |
| pKa2 | 5.15 | acidic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase | Enzyme | Ki | 7.63 | CHEMBL |
| ID | Source |
|---|---|
| D04897 | KEGG_DRUG |
| C0000402 | UMLSCUI |
| CHEBI:16831 | CHEBI |
| CHEMBL50444 | ChEMBL_ID |
| DB04377 | DRUGBANK_ID |
| D015093 | MESH_DESCRIPTOR_UI |
| 1662 | PUBCHEM_CID |
| 4448 | INN_ID |
| 2960 | IUPHAR_LIGAND_ID |
| CLA99KCD53 | UNII |
| MAH | PDB_CHEM_ID |
| CLA99KCD53 | INXIGHT DRUGS |
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