Drug Information

Drug General Information
Drug ID
D0P1CO
Former ID
DNC011142
Drug Name
S-(3,4-Dichlorobenzyl)isothiourea hydrochloride
Drug Type
Small molecular drug
Indication Discovery agent Investigative [531087]
Formula
C8H9Cl3N2S
Canonical SMILES
C1=CC(=C(C=C1CSC(=N)N)Cl)Cl.Cl
InChI
1S/C8H8Cl2N2S.ClH/c9-6-2-1-5(3-7(6)10)4-13-8(11)12;/h1-3H,4H2,(H3,11,12);1H
InChIKey
VBJNMXMOMSWRDV-UHFFFAOYSA-N
PubChem Compound ID
2830968
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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