Drug Information

Drug General Information
Drug ID
D03ETX
Former ID
DNC006076
Drug Name
S-Benzyl-brassinin
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527977]
Structure
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2D MOL

3D MOL
Formula
C17H16N2S2
Canonical SMILES
C1=CC=C(C=C1)CSC(=S)NCC2=CC3=CC=CC=C3N2
InChI
1S/C17H16N2S2/c20-17(21-12-13-6-2-1-3-7-13)18-11-15-10-14-8-4-5-9-16(14)19-15/h1-10,19H,11-12H2,(H,18,20)
InChIKey
PHBHIYCWGKONRK-UHFFFAOYSA-N
PubChem Compound ID
44406807
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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