Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D04WJN
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| Former ID |
DNC004478
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| Drug Name |
3-((1H-imidazol-1-yl)methyl)-9H-xanthen-9-one
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| Synonyms |
CHEMBL350922; 3-((1H-imidazol-1-yl)methyl)-9H-xanthen-9-one; BDBM50097364; 3-Imidazol-1-ylmethyl-xanthen-9-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 |
C17H12N2O2
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| Canonical SMILES |
C1=CC=C2C(=C1)C(=O)C3=C(O2)C=C(C=C3)CN4C=CN=C4
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| InChI |
1S/C17H12N2O2/c20-17-13-3-1-2-4-15(13)21-16-9-12(5-6-14(16)17)10-19-8-7-18-11-19/h1-9,11H,10H2
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| InChIKey |
GFCUIFVKCOEHQN-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 | Novel highly potent and selective nonsteroidal aromatase inhibitors: synthesis, biological evaluation and structure-activity relationships investigation. J Med Chem. 2010 Jul 22;53(14):5347-51. | |||
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