Drug Information

Drug General Information
Drug ID
D0VE6A
Former ID
DNC008773
Drug Name
4-(isopentylthio)-2-(trifluoromethyl)benzonitrile
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529954]
Formula
C13H14F3NS
Canonical SMILES
CC(C)CCSC1=CC(=C(C=C1)C#N)C(F)(F)F
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
InChIKey
JCLWLTZDKYNAQH-UHFFFAOYSA-N
PubChem Compound ID
44564659
Target and Pathway
Target(s) mRNA of androgen receptor Target Info Inhibitor [529954]
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
Ref 529954Bioorg Med Chem Lett. 2009 Mar 1;19(5):1310-3. Epub 2009 Jan 27.4-(Alkylthio)- and 4-(arylthio)-benzonitrile derivatives as androgen receptor antagonists for the topical suppression of sebum production.
Ref 529954Bioorg Med Chem Lett. 2009 Mar 1;19(5):1310-3. Epub 2009 Jan 27.4-(Alkylthio)- and 4-(arylthio)-benzonitrile derivatives as androgen receptor antagonists for the topical suppression of sebum production.

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