Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0Y4TE
|
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| Former ID |
DNC008696
|
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| Drug Name |
NSC-369087
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C18H16N2O4
|
||||
| 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
|
||||
| InChIKey |
SLZWZNUKPMKGCR-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 | J Med Chem. 2009 Jan 8;52(1):143-50.Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors. | ||||
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