Drug General Information
Drug ID	D06FSR
Former ID	DNC006459
Drug Name	1-methyl-1H-indole-3-carbonitrile
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[528041]
Structure		Download 2D MOL 3D MOL
Formula	C10H8N2
Canonical SMILES	CN1C=C(C2=CC=CC=C21)C#N
InChI	1S/C10H8N2/c1-12-7-8(6-11)9-4-2-3-5-10(9)12/h2-5,7H,1H3
InChIKey	FBAXZPMXGBNBPE-UHFFFAOYSA-N
PubChem Compound ID	2307681
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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