Drug Information

Drug General Information
Drug ID
D03JMD
Former ID
DNC011139
Drug Name
S-(4-Cyanobenzyl)isothiourea hydrobromide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [531087]
Formula
C9H10BrN3S
Canonical SMILES
C1=CC(=CC=C1CSC(=N)N)C#N.Br
InChI
1S/C9H9N3S.BrH/c10-5-7-1-3-8(4-2-7)6-13-9(11)12;/h1-4H,6H2,(H3,11,12);1H
InChIKey
ONSRFABKCKXUCK-UHFFFAOYSA-N
PubChem Compound ID
49866094
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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