Drug General Information
Drug ID	D0Q9JG
Former ID	DNC011138
Drug Name	S-(4-Methoxybenzyl)isothiourea hydrochloride
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[531087]
Structure		Download 2D MOL 3D MOL
Formula	C9H13ClN2OS
Canonical SMILES	COC1=CC=C(C=C1)CSC(=N)N.Cl
InChI	1S/C9H12N2OS.ClH/c1-12-8-4-2-7(3-5-8)6-13-9(10)11;/h2-5H,6H2,1H3,(H3,10,11);1H
InChIKey	QGNMUFKTLKVUHM-UHFFFAOYSA-N
PubChem Compound ID	13885856
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.

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