Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D08ARY
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| Former ID |
DNC008682
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| Drug Name |
NSC-368272
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| Synonyms |
NSC-368272; CHEMBL459503; 5242-64-8; NSC368272; AC1L7R16; DTXSID10321036; 6-(benzo[d][1,3]dioxol-5-ol; BDBM50254016; 6-[1,3-benzodioxol-5-yl(imidazol-1-yl)methyl]-1,3-benzodioxol-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 |
C18H14N2O5
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| Canonical SMILES |
C1OC2=C(O1)C=C(C=C2)C(C3=CC4=C(C=C3O)OCO4)N5C=CN=C5
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| InChI |
1S/C18H14N2O5/c21-13-7-17-16(24-10-25-17)6-12(13)18(20-4-3-19-8-20)11-1-2-14-15(5-11)23-9-22-14/h1-8,18,21H,9-10H2
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| InChIKey |
SADZUGZPRKRGTC-UHFFFAOYSA-N
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| CAS Number |
CAS 5242-64-8
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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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