Drug Information

Drug General Information
Drug ID
D0ZG3O
Former ID
DNC006471
Drug Name
Ethyl 3-(pyridin-4-yl)-1H-indole-6-carboxylate
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528041]
Structure
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2D MOL

3D MOL
Formula
C16H14N2O2
Canonical SMILES
CCOC(=O)C1=CC2=C(C=C1)C(=CN2)C3=CC=NC=C3
InChI
1S/C16H14N2O2/c1-2-20-16(19)12-3-4-13-14(10-18-15(13)9-12)11-5-7-17-8-6-11/h3-10,18H,2H2,1H3
InChIKey
HFXZBVKGWWNQBD-UHFFFAOYSA-N
PubChem Compound ID
44410730
Target and Pathway
Target(s) Inosine-5'-monophosphate dehydrogenase 2 Target Info Inhibitor [528041]
BioCyc Pathway Purine nucleotides degradation
Urate biosynthesis/inosine 5'-phosphate degradation
Guanosine nucleotides de novo biosynthesis
Superpathway of purine nucleotide salvage
Purine nucleotides de novo biosynthesis
Guanosine ribonucleotides de novo biosynthesis
KEGG Pathway Purine metabolism
Drug metabolism - other enzymes
Metabolic pathways
PANTHER Pathway De novo purine biosynthesis
Reactome Purine ribonucleoside monophosphate biosynthesis
References
Ref 528041Bioorg Med Chem Lett. 2006 May 1;16(9):2539-42. Epub 2006 Feb 17.Novel indole inhibitors of IMPDH from fragments: synthesis and initial structure-activity relationships.
Ref 528041Bioorg Med Chem Lett. 2006 May 1;16(9):2539-42. Epub 2006 Feb 17.Novel indole inhibitors of IMPDH from fragments: synthesis and initial structure-activity relationships.

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