Drug Information
Drug General Information | Top | |||
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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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Synonyms |
CHEMBL1085936; 1-(4-Nitro-2-phenylsulfanylbenzyl)-1H-imidazole
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Drug Type |
Small molecular drug
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Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D MOL |
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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 | Top | |||
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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 | |||
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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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