| Drug General Information |
| Drug ID |
D02EAP
|
| Former ID |
DNC006935
|
| Drug Name |
3-(5-[1,3]dithiolan-2-yl-furan-2-yl)pyridine
|
| Drug Type |
Small molecular drug
|
| Indication |
Discovery agent
|
Investigative |
[1]
|
|---|
| Structure |
|
Download
2D MOL
3D MOL
|
| Formula |
C12H11NOS2
|
| Canonical SMILES |
C1CSC(S1)C2=CC=C(O2)C3=CN=CC=C3
|
| InChI |
1S/C12H11NOS2/c1-2-9(8-13-5-1)10-3-4-11(14-10)12-15-6-7-16-12/h1-5,8,12H,6-7H2
|
| InChIKey |
UITMTMQMFFBLFB-UHFFFAOYSA-N
|
| PubChem Compound ID |
|
| Target and Pathway |
| Target(s) |
Cytochrome P450 3A4 |
Target Info |
Inhibitor |
[1]
|
|---|
|
KEGG Pathway
|
Steroid hormone biosynthesis
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Linoleic acid metabolism
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Retinol metabolism
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Metabolism of xenobiotics by cytochrome P450
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Drug metabolism - cytochrome P450
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Drug metabolism - other enzymes
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Metabolic pathways
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Bile secretion
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Chemical carcinogenesis
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PathWhiz Pathway
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Caffeine Metabolism
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Retinol Metabolism
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Reactome
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Xenobiotics
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Aflatoxin activation and detoxification
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WikiPathways
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Metapathway biotransformation
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Aflatoxin B1 metabolism
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Estrogen metabolism
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Benzo(a)pyrene metabolism
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Tamoxifen metabolism
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Tryptophan metabolism
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Oxidation by Cytochrome P450
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Nuclear Receptors in Lipid Metabolism and Toxicity
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Nuclear Receptors Meta-Pathway
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Farnesoid X Receptor Pathway
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Vitamin D Receptor Pathway
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Felbamate Metabolism
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Lidocaine metabolism
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Nifedipine Activity
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Colchicine Metabolic Pathway
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Irinotecan Pathway
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Drug Induction of Bile Acid Pathway
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Fatty Acid Omega Oxidation
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Codeine and Morphine Metabolism
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| References |
| REF 1 | J Med Chem. 2006 Nov 30;49(24):6987-7001.Synthetic inhibitors of cytochrome P-450 2A6: inhibitory activity, difference spectra, mechanism of inhibition, and protein cocrystallization. |
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