Drug General Information
Drug ID	D05AFW
Former ID	DNC011137
Drug Name	S-(4-Ethylbenzyl)isothiourea hydrochloride
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[531087]
Structure		Download 2D MOL 3D MOL
Formula	C10H15ClN2S
Canonical SMILES	CCC1=CC=C(C=C1)CSC(=N)N.Cl
InChI	1S/C10H14N2S.ClH/c1-2-8-3-5-9(6-4-8)7-13-10(11)12;/h3-6H,2,7H2,1H3,(H3,11,12);1H
InChIKey	FLLOBRZODSODRU-UHFFFAOYSA-N
PubChem Compound ID	49866090
Target and Pathway
Target(s)	Indoleamine 2,3-dioxygenase	Target Info	Inhibitor	[531087]
BioCyc Pathway	Superpathway of tryptophan utilization
	Tryptophan degradation
	L-kynurenine degradation
	Tryptophan degradation to 2-amino-3-carboxymuconate semialdehyde
	NAD de novo biosynthesis
KEGG Pathway	Tryptophan metabolism
	Metabolic pathways
	African trypanosomiasis
NetPath Pathway	TSLP Signaling Pathway
	IL5 Signaling Pathway
	TGF_beta_Receptor Signaling Pathway
PathWhiz Pathway	Tryptophan Metabolism
Reactome	Tryptophan catabolism
WikiPathways	Tryptophan metabolism
	Metabolism of amino acids and derivatives
References
Ref 531087	Bioorg Med Chem Lett. 2010 Sep 1;20(17):5126-9. Epub 2010 Jul 11.S-benzylisothiourea derivatives as small-molecule inhibitors of indoleamine-2,3-dioxygenase.
Ref 531087	Bioorg Med Chem Lett. 2010 Sep 1;20(17):5126-9. Epub 2010 Jul 11.S-benzylisothiourea derivatives as small-molecule inhibitors of indoleamine-2,3-dioxygenase.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.