Drug Information

Drug General Information
Drug ID
D0G0EE
Former ID
DNC008668
Drug Name
3-(1H-Imidazol-4-yl)benzenethiol
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529619]
Formula
C9H8N2S
Canonical SMILES
C1=CC(=CC(=C1)S)C2=CN=CN2
InChI
1S/C9H8N2S/c12-8-3-1-2-7(4-8)9-5-10-6-11-9/h1-6,12H,(H,10,11)
InChIKey
GZDISEVTMUIDGB-UHFFFAOYSA-N
PubChem Compound ID
24971327
Target and Pathway
Target(s) Indoleamine 2,3-dioxygenase Target Info Inhibitor [529619]
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 529619J Med Chem. 2008 Aug 28;51(16):4968-77. Epub 2008 Jul 30.Structure based development of phenylimidazole-derived inhibitors of indoleamine 2,3-dioxygenase.
Ref 529619J Med Chem. 2008 Aug 28;51(16):4968-77. Epub 2008 Jul 30.Structure based development of phenylimidazole-derived inhibitors of indoleamine 2,3-dioxygenase.

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