Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D07JKK
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| Former ID |
DNC010803
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| Drug Name |
3,4-bis(3,4-dimethoxyphenyl)furan-2(5H)-one
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| Synonyms |
CHEMBL1098382; 3,4-bis(3,4-dimethoxyphenyl)furan-2(5H)-one
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C20H20O6
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| Canonical SMILES |
COC1=C(C=C(C=C1)C2=C(C(=O)OC2)C3=CC(=C(C=C3)OC)OC)OC
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| InChI |
1S/C20H20O6/c1-22-15-7-5-12(9-17(15)24-3)14-11-26-20(21)19(14)13-6-8-16(23-2)18(10-13)25-4/h5-10H,11H2,1-4H3
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| InChIKey |
FGMQIGBHXSBGMS-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Aromatase (CYP19A1) | Target Info | Inhibitor | [1] |
| BioCyc | Superpathway of steroid hormone biosynthesis | |||
| Estradiol biosynthesis II | ||||
| Estradiol biosynthesis I | ||||
| KEGG Pathway | Steroid hormone biosynthesis | |||
| Metabolic pathways | ||||
| Ovarian steroidogenesis | ||||
| NetPath Pathway | FSH Signaling Pathway | |||
| Panther Pathway | Androgen/estrogene/progesterone biosynthesis | |||
| Pathwhiz Pathway | Androgen and Estrogen Metabolism | |||
| Reactome | Endogenous sterols | |||
| WikiPathways | Metapathway biotransformation | |||
| Tryptophan metabolism | ||||
| Oxidation by Cytochrome P450 | ||||
| Ovarian Infertility Genes | ||||
| Metabolism of steroid hormones and vitamin D | ||||
| FSH signaling pathway | ||||
| Integrated Breast Cancer Pathway | ||||
| Phase 1 - Functionalization of compounds | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19). Bioorg Med Chem Lett. 2010 May 15;20(10):3050-64. | |||
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