Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0LJ9D
|
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| Former ID |
DNC011110
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| Drug Name |
4-(4-(thiophen-2-yl)benzyl)pyridine
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C16H13NS
|
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| Canonical SMILES |
C1=CSC(=C1)C2=CC=C(C=C2)CC3=CC=NC=C3
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| InChI |
1S/C16H13NS/c1-2-16(18-11-1)15-5-3-13(4-6-15)12-14-7-9-17-10-8-14/h1-11H,12H2
|
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| InChIKey |
ORQOALYZYXEWJV-UHFFFAOYSA-N
|
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Cytochrome P450 11B1, mitochondrial | Target Info | Inhibitor | [1] | |
| 17 alpha-hydroxylase-C17, 20-lyase | Target Info | Inhibitor | [1] | ||
| BioCyc Pathway | Superpathway of steroid hormone biosynthesis | ||||
| Glucocorticoid biosynthesis | |||||
| Mineralocorticoid biosynthesisPWY-7305:Superpathway of steroid hormone biosynthesis | |||||
| Androgen biosynthesis | |||||
| KEGG Pathway | Steroid hormone biosynthesis | ||||
| Metabolic pathwayshsa00140:Steroid hormone biosynthesis | |||||
| Metabolic pathways | |||||
| Ovarian steroidogenesis | |||||
| Prolactin signaling pathway | |||||
| PathWhiz Pathway | SteroidogenesisPW000045:Androgen and Estrogen Metabolism | ||||
| Steroidogenesis | |||||
| Reactome | Glucocorticoid biosynthesis | ||||
| Endogenous sterolsR-HSA-193048:Androgen biosynthesis | |||||
| Endogenous sterols | |||||
| WikiPathways | Metapathway biotransformation | ||||
| Oxidation by Cytochrome P450 | |||||
| Metabolism of steroid hormones and vitamin D | |||||
| Corticotropin-releasing hormoneWP702:Metapathway biotransformation | |||||
| Steroid Biosynthesis | |||||
| Glucocorticoid & Mineralcorticoid Metabolism | |||||
| Prostate Cancer | |||||
| Phase 1 - Functionalization of compounds | |||||
| References | |||||
| REF 1 | J Med Chem. 2010 Aug 12;53(15):5749-58.Replacement of imidazolyl by pyridyl in biphenylmethylenes results in selective CYP17 and dual CYP17/CYP11B1 inhibitors for the treatment of prostate cancer. | ||||
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