Drug General Information
Drug ID
D02YMQ
Former ID
DNC006472
Drug Name
6-phenyl-3-(pyridin-4-yl)-1H-indole
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528041]
Structure
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2D MOL

3D MOL

Formula
C19H14N2
Canonical SMILES
C1=CC=C(C=C1)C2=CC3=C(C=C2)C(=CN3)C4=CC=NC=C4
InChI
1S/C19H14N2/c1-2-4-14(5-3-1)16-6-7-17-18(13-21-19(17)12-16)15-8-10-20-11-9-15/h1-13,21H
InChIKey
QPUYBWAAFGEKSG-UHFFFAOYSA-N
PubChem Compound ID
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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