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]
Structure		Download 2D MOL
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 528041	Bioorg 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 528041	Bioorg 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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