Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D02QSH
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| Former ID |
DNC008683
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| Drug Name |
NSC-368280
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| Synonyms |
NSC-368280; CHEMBL513615; NSC368280; AC1Q4NLW; AC1L7R1U; BDBM50254017; 6-[(4-fluorophenyl)-imidazol-1-ylmethyl]-1,3-benzodioxol-5-ol; 6-((4-fluorophenyl)(1H-imidazol-1-yl)methyl)benzo[d][1,3]dioxol-5-ol; 6-((4-fluorophenyl)(1H-imidazol-1-yl)methyl) benzo[d][1,3]dioxol-5-ol; 1,3-benzodioxol-5-ol, 6-[(4-fluorophenyl)-1H-imidazol-1-ylmethyl]-
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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 |
C17H13FN2O3
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| Canonical SMILES |
C1OC2=C(O1)C=C(C(=C2)C(C3=CC=C(C=C3)F)N4C=CN=C4)O
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| InChI |
1S/C17H13FN2O3/c18-12-3-1-11(2-4-12)17(20-6-5-19-9-20)13-7-15-16(8-14(13)21)23-10-22-15/h1-9,17,21H,10H2
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| InChIKey |
WOTHQAYNAPHLDM-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 | Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors. J Med Chem. 2009 Jan 8;52(1):143-50. | |||
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