Drug General Information
Drug ID
D0Z0YB
Former ID
DNC007548
Drug Name
N-benzyl-9-oxo-9,10-dihydroacridine-3-carboxamide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528916]
Structure
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2D MOL

3D MOL

Formula
C21H16N2O2
Canonical SMILES
C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4N3
InChI
1S/C21H16N2O2/c24-20-16-8-4-5-9-18(16)23-19-12-15(10-11-17(19)20)21(25)22-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,22,25)(H,23,24)
InChIKey
YUICSGTVFUPFFC-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Inosine-5'-monophosphate dehydrogenase 2 Target Info Inhibitor [528916]
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 528916J Med Chem. 2007 Jul 26;50(15):3730-42. Epub 2007 Jun 22.Acridone-based inhibitors of inosine 5'-monophosphate dehydrogenase: discovery and SAR leading to the identification of N-(2-(6-(4-ethylpiperazin-1-yl)pyridin-3-yl)propan-2-yl)-2- fluoro-9-oxo-9,10-dihydroacridine-3-carboxamide (BMS-566419).
Ref 528916J Med Chem. 2007 Jul 26;50(15):3730-42. Epub 2007 Jun 22.Acridone-based inhibitors of inosine 5'-monophosphate dehydrogenase: discovery and SAR leading to the identification of N-(2-(6-(4-ethylpiperazin-1-yl)pyridin-3-yl)propan-2-yl)-2- fluoro-9-oxo-9,10-dihydroacridine-3-carboxamide (BMS-566419).

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