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]
Structure		Download 2D MOL 3D MOL
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 529954	Bioorg 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 529954	Bioorg 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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