TTD | Drug: D0H1II

Drug General Information
Drug ID	D0H1II
Former ID	DNC006473
Drug Name	1-(3-cyano-1-methyl-1H-indol-6-yl)-3-phenylurea
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[528041]
Structure		Download 2D MOL 3D MOL
Formula	C17H14N4O
Canonical SMILES	CN1C=C(C2=C1C=C(C=C2)NC(=O)NC3=CC=CC=C3)C#N
InChI	1S/C17H14N4O/c1-21-11-12(10-18)15-8-7-14(9-16(15)21)20-17(22)19-13-5-3-2-4-6-13/h2-9,11H,1H3,(H2,19,20,22)
InChIKey	DKHWZIZMXRFFLI-UHFFFAOYSA-N
PubChem Compound ID	510913
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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Drug Information