Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0RY9R
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| Drug Name |
PMID25514969-Compound-13
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| Drug Type |
Small molecular drug
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| Company |
Takeda Pharmaceutical Co. Ltd
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| Structure |
 |
Download2D MOL |
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| Formula |
C18H12F3N5O2
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| Canonical SMILES |
C1=CC=C(C=C1)CNC(=O)C2=NN=C3N2C=C(C=C3C4=CN=CO4)C(F)(F)F
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| InChI |
1S/C18H12F3N5O2/c19-18(20,21)12-6-13(14-8-22-10-28-14)15-24-25-16(26(15)9-12)17(27)23-7-11-4-2-1-3-5-11/h1-6,8-10H,7H2,(H,23,27)
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| InChIKey |
QZZRSTUQIGEDKT-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Cholesterol 24-hydroxylase (CYP46A1) | Target Info | Inhibitor | [1] |
| Target's Patent Info | Cholesterol 24-hydroxylase (CYP46A1) | Target's Patent Info | [1] | |
| KEGG Pathway | Primary bile acid biosynthesis | |||
| Pathwhiz Pathway | Bile Acid Biosynthesis | |||
| Reactome | Endogenous sterols | |||
| WikiPathways | Metapathway biotransformation | |||
| Oxidation by Cytochrome P450 | ||||
| Phase 1 - Functionalization of compounds | ||||
| Bile acid and bile salt metabolism | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Imidazo[1,2-a]pyridines as cholesterol 24-hydroxylase (CYP46A1) inhibitors: a patent evaluation (WO2014061676).Expert Opin Ther Pat. 2015 Mar;25(3):373-7. | |||
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