Drug Information

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]
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 531087Bioorg 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 531087Bioorg 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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