Drug Information

Drug General Information
Drug ID
D0Q3CE
Former ID
DNC006468
Drug Name
3-(pyridin-4-yl)-1H-indole
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528041]
Formula
C13H10N2
Canonical SMILES
C1=CC=C2C(=C1)C(=CN2)C3=CC=NC=C3
InChI
1S/C13H10N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-9,15H
InChIKey
LLJRXVHJOJRCSM-UHFFFAOYSA-N
PubChem Compound ID
644354
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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