Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0X1VL
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| Former ID |
DNC013537
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| Drug Name |
F(4-Fluoro)VAE
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C22H31FN4O7
|
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| Canonical SMILES |
CC(C)C(C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CC1=CC<br />=C(C=C1)F)N
|
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| InChI |
1S/C22H31FN4O7/c1-11(2)18(27-20(31)15(24)10-13-4-6-14(23)7-5-13)21(32)25-12(3)19(30)26-16(22(33)34)8-9-17(28)29/h4-7,11-12,15-16,18H,8-10,24H2,1-3H3,(H,25,32)(H,26,30)(H,27,31)(H,28,29)(H,33,34)/t12-,15-,16-,18-/m0/s1
|
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| InChIKey |
HREKBPJJOGCVRC-RPZXMPESSA-N
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | Target Info | Inhibitor | [1] | |
| BioCyc Pathway | Superpathway of geranylgeranyldiphosphate biosynthesis I (via mevalonate) | ||||
| Superpathway of cholesterol biosynthesis | |||||
| Mevalonate pathway | |||||
| KEGG Pathway | Terpenoid backbone biosynthesis | ||||
| Metabolic pathways | |||||
| Biosynthesis of antibiotics | |||||
| AMPK signaling pathway | |||||
| Bile secretion | |||||
| NetPath Pathway | IL5 Signaling Pathway | ||||
| TGF_beta_Receptor Signaling Pathway | |||||
| TSH Signaling Pathway | |||||
| PANTHER Pathway | Cholesterol biosynthesis | ||||
| PathWhiz Pathway | Steroid Biosynthesis | ||||
| WikiPathways | Statin Pathway | ||||
| Regulation of Lipid Metabolism by Peroxisome proliferator-activated receptor alpha (PPARalpha) | |||||
| Activation of Gene Expression by SREBP (SREBF) | |||||
| SREBF and miR33 in cholesterol and lipid homeostasis | |||||
| Integrated Breast Cancer Pathway | |||||
| SREBP signalling | |||||
| Cholesterol Biosynthesis | |||||
| References | |||||
| REF 1 | Bioorg Med Chem. 2008 Feb 1;16(3):1309-18. Epub 2007 Oct 23.Binding effect and design of a competitive inhibitory peptide for HMG-CoA reductase through modeling of an active peptide backbone. | ||||
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