Drug General Information
Drug ID
D07NSZ
Former ID
DNC011132
Drug Name
S-(3-Chlorobenzyl)isothiourea hydrochloride
Drug Type
Small molecular drug
Indication Discovery agent Investigative [531087]
Structure
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2D MOL

3D MOL

Formula
C8H10Cl2N2S
Canonical SMILES
C1=CC(=CC(=C1)Cl)CSC(=N)N.Cl
InChI
1S/C8H9ClN2S.ClH/c9-7-3-1-2-6(4-7)5-12-8(10)11;/h1-4H,5H2,(H3,10,11);1H
InChIKey
YKIYRIHELXCHJD-UHFFFAOYSA-N
PubChem Compound ID
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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