Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0F4WQ
|
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| Former ID |
DNC010867
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| Drug Name |
1-(4-Nitro-2-phenylsulfanylbenzyl)-1H-imidazole
|
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C16H13N3O2S
|
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| Canonical SMILES |
C1=CC=C(C=C1)SC2=C(C=CC(=C2)[N+](=O)[O-])CN3C=CN=C3
|
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| InChI |
1S/C16H13N3O2S/c20-19(21)14-7-6-13(11-18-9-8-17-12-18)16(10-14)22-15-4-2-1-3-5-15/h1-10,12H,11H2
|
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| InChIKey |
FOCINXPGESCYHX-UHFFFAOYSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Cytochrome P450 19 | Target Info | Inhibitor | [1] | |
| BioCyc Pathway | 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 | |||||
| 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. doi: 10.1021/jm100319h. | ||||
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