Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D01FJE
|
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| Former ID |
DNC011121
|
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| Drug Name |
ISOSAKUTANETIN
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [531094] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C16H14O5
|
||||
| Canonical SMILES |
COC1=CC=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O
|
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| InChI |
1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
|
||||
| InChIKey |
HMUJXQRRKBLVOO-AWEZNQCLSA-N
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Cytochrome P450 1B1 | Target Info | Inhibitor | [531094] | |
| Reactome | Endogenous sterols | ||||
| WikiPathways | Metapathway biotransformation | ||||
| Estrogen metabolism | |||||
| Benzo(a)pyrene metabolism | |||||
| Tamoxifen metabolism | |||||
| Tryptophan metabolism | |||||
| Oxidation by Cytochrome P450 | |||||
| Nuclear Receptors Meta-Pathway | |||||
| Estrogen Receptor Pathway | |||||
| Sulindac Metabolic Pathway | |||||
| Arylhydrocarbon receptor (AhR) signaling pathway | |||||
| miR-targeted genes in muscle cell - TarBase | |||||
| miR-targeted genes in lymphocytes - TarBase | |||||
| miR-targeted genes in epithelium - TarBase | |||||
| miR-targeted genes in adipocytes - TarBase | |||||
| Phase 1 - Functionalization of compounds | |||||
| References | |||||
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