Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0Q3JZ
|
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| Former ID |
DNC004694
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| Drug Name |
3-[5-Ethoxy-indan-(1Z)-ylidenemethyl]-pyridine
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C17H17NO
|
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| Canonical SMILES |
CCOC1=CC2=C(C=C1)C(=CC3=CN=CC=C3)CC2
|
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| InChI |
1S/C17H17NO/c1-2-19-16-7-8-17-14(5-6-15(17)11-16)10-13-4-3-9-18-12-13/h3-4,7-12H,2,5-6H2,1H3/b14-10-
|
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| InChIKey |
PXXLKRIIKURDBT-UVTDQMKNSA-N
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Cytochrome P450 11B1, mitochondrial | Target Info | Inhibitor | [1] | |
| Cytochrome P450 19 | Target Info | Inhibitor | [1] | ||
| BioCyc Pathway | Superpathway of steroid hormone biosynthesis | ||||
| Glucocorticoid biosynthesis | |||||
| Mineralocorticoid biosynthesisPWY-7305:Superpathway of steroid hormone biosynthesis | |||||
| Estradiol biosynthesis II | |||||
| Estradiol biosynthesis I | |||||
| KEGG Pathway | Steroid hormone biosynthesis | ||||
| Metabolic pathwayshsa00140:Steroid hormone biosynthesis | |||||
| Metabolic pathways | |||||
| Ovarian steroidogenesis | |||||
| NetPath Pathway | FSH Signaling Pathway | ||||
| PANTHER Pathway | Androgen/estrogene/progesterone biosynthesis | ||||
| PathWhiz Pathway | SteroidogenesisPW000045:Androgen and Estrogen Metabolism | ||||
| Reactome | Glucocorticoid biosynthesis | ||||
| Endogenous sterolsR-HSA-211976:Endogenous sterols | |||||
| WikiPathways | Metapathway biotransformation | ||||
| Oxidation by Cytochrome P450 | |||||
| Metabolism of steroid hormones and vitamin D | |||||
| Corticotropin-releasing hormoneWP702:Metapathway biotransformation | |||||
| Tryptophan metabolism | |||||
| Ovarian Infertility Genes | |||||
| FSH signaling pathway | |||||
| Integrated Breast Cancer Pathway | |||||
| Phase 1 - Functionalization of compounds | |||||
| References | |||||
| REF 1 | J Med Chem. 2005 Mar 10;48(5):1563-75.Synthesis and evaluation of (pyridylmethylene)tetrahydronaphthalenes/-indanes and structurally modified derivatives: potent and selective inhibitors of aldosterone synthase. | ||||
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