Compound ID | 2869

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NITD-916

Synonym(s): 4-hydroxy-2-pyridone

Class: Small molecule antibacterial agent

Details of activity: Active against Mycobacterium fortuitum, Mycobacterium tuberculosis, and Mycobacterium abscessus; inhibits production of long-chain fatty acid precursor required for mycolic acid synthesis (cell wall synthesis inhibitor); enoyl-ACP reductase [InhA] inhibitor
Description: Synthetic compound; derivative of a hit (NITD-529) from screening ~2.3 million compounds (Novartis collection) against Mycobacterium tuberculosis; more potent than initial hit; shows no mutagenic and cardiotoxicity properties although has low aqueous solubility
Institute where first reported: Novartis Institute for Tropical Diseases, Singapore, 138670; Centre National de la Recherche Scientifique UMR 9004, Institut de Recherche en Infectiologie de Montpellier (IRIM), Université de Montpellier, Montpellier, France
Year first mentioned: 2015
Development status: Experimental
Chemical structure(s):
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Molecular weight: 311.42
Iso. SMILES: CC1(CCC(CC1)CC2=CC(=C(C(=O)N2)C3=CC=CC=C3)O)C
InChI Key: WKDRRKVUJLNFSR-UHFFFAOYSA-N
Can. SMILES: CC1(C)CCC(CC1)CC2=CC(=C(C3=CC=CC=C3)C(=O)N2)O
InChI: InChI=1S/C20H25NO2/c1-20(2)10-8-14(9-11-20)12-16-13-17(22)18(19(23)21-16)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H2,21,22,23)
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/86580375
Citations:
  • https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4383039/pdf/nihms674662.pdf
  • https://www.science.org/doi/10.1126/scitranslmed.3010597
  • https://journals.asm.org/doi/10.1128/aac.01607-22

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