Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D09VPA
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| Former ID |
DNC004711
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| Drug Name |
4-[5-Bromo-indan-(1E)-ylidenemethyl]-pyridine
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C15H12BrN
|
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| Canonical SMILES |
C1CC(=CC2=CC=NC=C2)C3=C1C=C(C=C3)Br
|
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| InChI |
1S/C15H12BrN/c16-14-3-4-15-12(1-2-13(15)10-14)9-11-5-7-17-8-6-11/h3-10H,1-2H2/b12-9+
|
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| InChIKey |
MNQUPNOEJZVKRD-FMIVXFBMSA-N
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | 17 alpha-hydroxylase-C17, 20-lyase | Target Info | Inhibitor | [1] | |
| Cytochrome P450 11B1, mitochondrial | Target Info | Inhibitor | [1] | ||
| BioCyc Pathway | Superpathway of steroid hormone biosynthesis | ||||
| Glucocorticoid biosynthesis | |||||
| Androgen biosynthesisPWY-7305:Superpathway of steroid hormone biosynthesis | |||||
| Mineralocorticoid biosynthesis | |||||
| KEGG Pathway | Steroid hormone biosynthesis | ||||
| Metabolic pathways | |||||
| Ovarian steroidogenesis | |||||
| Prolactin signaling pathwayhsa00140:Steroid hormone biosynthesis | |||||
| PathWhiz Pathway | Androgen and Estrogen Metabolism | ||||
| SteroidogenesisPW000141:Steroidogenesis | |||||
| Reactome | Androgen biosynthesis | ||||
| Glucocorticoid biosynthesis | |||||
| Endogenous sterolsR-HSA-194002:Glucocorticoid biosynthesis | |||||
| Endogenous sterols | |||||
| WikiPathways | Metapathway biotransformation | ||||
| Steroid Biosynthesis | |||||
| Oxidation by Cytochrome P450 | |||||
| Metabolism of steroid hormones and vitamin D | |||||
| Glucocorticoid & Mineralcorticoid Metabolism | |||||
| Prostate Cancer | |||||
| Phase 1 - Functionalization of compoundsWP702:Metapathway biotransformation | |||||
| Corticotropin-releasing hormone | |||||
| 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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