Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0VE6A
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| Former ID |
DNC008773
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| Drug Name |
4-(isopentylthio)-2-(trifluoromethyl)benzonitrile
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| Synonyms |
CHEMBL503687; 4-(isopentylthio)-2-(trifluoromethyl)benzonitrile
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C13H14F3NS
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| Canonical SMILES |
CC(C)CCSC1=CC(=C(C=C1)C#N)C(F)(F)F
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| InChI |
1S/C13H14F3NS/c1-9(2)5-6-18-11-4-3-10(8-17)12(7-11)13(14,15)16/h3-4,7,9H,5-6H2,1-2H3
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| InChIKey |
JCLWLTZDKYNAQH-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Androgen receptor messenger RNA (AR mRNA) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Oocyte meiosis | |||
| Pathways in cancer | ||||
| Prostate cancer | ||||
| NetPath Pathway | EGFR1 Signaling Pathway | |||
| AndrogenReceptor Signaling Pathway | ||||
| FSH Signaling Pathway | ||||
| Pathway Interaction Database | Regulation of nuclear SMAD2/3 signaling | |||
| Coregulation of Androgen receptor activity | ||||
| Regulation of Androgen receptor activity | ||||
| Nongenotropic Androgen signaling | ||||
| Regulation of nuclear beta catenin signaling and target gene transcription | ||||
| FOXA1 transcription factor network | ||||
| Notch-mediated HES/HEY network | ||||
| Reactome | Nuclear Receptor transcription pathway | |||
| Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3 | ||||
| WikiPathways | SIDS Susceptibility Pathways | |||
| Integrated Pancreatic Cancer Pathway | ||||
| Prostate Cancer | ||||
| Integrated Breast Cancer Pathway | ||||
| Nuclear Receptors | ||||
| Androgen receptor signaling pathway | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | 4-(Alkylthio)- and 4-(arylthio)-benzonitrile derivatives as androgen receptor antagonists for the topical suppression of sebum production. Bioorg Med Chem Lett. 2009 Mar 1;19(5):1310-3. | |||
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