Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0Y4TE
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| Former ID |
DNC008696
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| Drug Name |
NSC-369087
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| Synonyms |
NSC-369087; CHEMBL522733; NSC369087; AC1Q6ZTK; AC1L7R8L; BDBM50265438; 6-[1H-imidazol-1-yl(4-methoxyphenyl)methyl]-1,3-benzodioxol-5-ol; 6-[imidazol-1-yl-(4-methoxyphenyl)methyl]-1,3-benzodioxol-5-ol; 6-((1H-imidazol-1-yl)(4-methoxyphenyl)methyl)benzo[d][1,3]dioxol-5-ol
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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 |
C18H16N2O4
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| Canonical SMILES |
COC1=CC=C(C=C1)C(C2=CC3=C(C=C2O)OCO3)N4C=CN=C4
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| InChI |
1S/C18H16N2O4/c1-22-13-4-2-12(3-5-13)18(20-7-6-19-10-20)14-8-16-17(9-15(14)21)24-11-23-16/h2-10,18,21H,11H2,1H3
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| InChIKey |
SLZWZNUKPMKGCR-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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