Drug Information

Drug General Information
Drug ID
D06MUL
Former ID
DNC006075
Drug Name
N-[2-(Indol-3-yl)ethyl]-S-benzyl-dithiocarbamate
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527977]
Structure
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2D MOL

3D MOL
Formula
C18H18N2S2
Canonical SMILES
C1=CC=C(C=C1)CSC(=S)NCCC2=CC3=CC=CC=C3N2
InChI
1S/C18H18N2S2/c21-18(22-13-14-6-2-1-3-7-14)19-11-10-16-12-15-8-4-5-9-17(15)20-16/h1-9,12,20H,10-11,13H2,(H,19,21)
InChIKey
UDMBZULQHCKYPT-UHFFFAOYSA-N
PubChem Compound ID
44406804
Target and Pathway
Target(s) Indoleamine 2,3-dioxygenase Target Info Inhibitor [527977]
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 527977J Med Chem. 2006 Jan 26;49(2):684-92.Structure-activity study of brassinin derivatives as indoleamine 2,3-dioxygenase inhibitors.
Ref 527977J Med Chem. 2006 Jan 26;49(2):684-92.Structure-activity study of brassinin derivatives as indoleamine 2,3-dioxygenase inhibitors.

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