Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D07CTI
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| Former ID |
DNC004400
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| Drug Name |
1-Imidazol-1-ylmethyl-4-nitro-xanthen-9-one
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| Synonyms |
CHEMBL307160; 1-Imidazol-1-ylmethyl-4-nitro-xanthen-9-one; BDBM50097363; 1-(imidazol-1-ylmethyl)-4-nitro-9h-9-xanthenone; 4-Nitro-1-(1H-imidazole-1-ylmethyl)-9H-xanthene-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 |
C17H11N3O4
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| Canonical SMILES |
C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3O2)[N+](=O)[O-])CN4C=CN=C4
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| InChI |
1S/C17H11N3O4/c21-16-12-3-1-2-4-14(12)24-17-13(20(22)23)6-5-11(15(16)17)9-19-8-7-18-10-19/h1-8,10H,9H2
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| InChIKey |
VKGUMSNSPMTJMS-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Aromatase (CYP19A1) | Target Info | Inhibitor | [1] |
| Steroid 17-alpha-monooxygenase (S17AH) | Target Info | Inhibitor | [1] | |
| BioCyc | Superpathway of steroid hormone biosynthesis | |||
| Estradiol biosynthesis II | ||||
| Estradiol biosynthesis I | ||||
| Glucocorticoid biosynthesis | ||||
| Androgen biosynthesis | ||||
| KEGG Pathway | Steroid hormone biosynthesis | |||
| Metabolic pathways | ||||
| Ovarian steroidogenesis | ||||
| Prolactin signaling pathway | ||||
| NetPath Pathway | FSH Signaling Pathway | |||
| Panther Pathway | Androgen/estrogene/progesterone biosynthesis | |||
| Pathwhiz Pathway | Androgen and Estrogen Metabolism | |||
| Steroidogenesis | ||||
| Reactome | Endogenous sterols | |||
| Androgen biosynthesis | ||||
| Glucocorticoid biosynthesis | ||||
| 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 | ||||
| Steroid Biosynthesis | ||||
| Glucocorticoid & Mineralcorticoid Metabolism | ||||
| Prostate Cancer | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | A new class of nonsteroidal aromatase inhibitors: design and synthesis of chromone and xanthone derivatives and inhibition of the P450 enzymes aromatase and 17 alpha-hydroxylase/C17,20-lyase. J Med Chem. 2001 Mar 1;44(5):672-80. | |||
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