Compound ID | 2317

Update compound information

Ionized NonClassical Antifolate (INCA) compound 14

Class: Small molecule antibacterial agent

Agent Type: Synthetic; Direct acting;
Spectrum of activity: Gram-positive
Mechanism of action: Folate synthesis inhibitor. Dihydrofolate reductase inhibitor
Target Pathogen: Active against trimethoprim-susceptible and -resistant Staphylococcus aureus
Description: Synthetic compound
Year first mentioned: 2019
Development status: Experimental
Chemical structure(s):
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Molecular weight: 444.48
Iso. SMILES: NC1=NC(N)=C(C#CC(C2=CC(C3=CC=C(CC(O)=O)C=C3)=C4OCOC4=C2)C)C(CC)=N1
InChI Key: DFNOGZMANMBRCF-UHFFFAOYSA-N
Can. SMILES: CCC1=NC(=NC(=C1C#CC(C)C2=CC3=C(C(=C2)C4=CC=C(C=C4)CC(=O)O)OCO3)N)N
InChI: InChI=1S/C25H24N4O4/c1-3-20-18(24(26)29-25(27)28-20)9-4-14(2)17-11-19(23-21(12-17)32-13-33-23)16-7-5-15(6-8-16)10-22(30)31/h5-8,11-12,14H,3,10,13H2,1-2H3,(H,30,31)(H4,26,27,28,29)
External links:
Citations:
  • https://pubs.acs.org/doi/10.1021/acsmedchemlett.6b00120
  • https://www.cell.com/cell-chemical-biology/fulltext/S2451-9456(16)30430-5?_returnURL=https%3A%2F%2Flinkinghub.elsevier.com%2Fretrieve%2Fpii%2FS2451945616304305%3Fshowall%3Dtrue
  • https://pubs.acs.org/doi/10.1021/acsinfecdis.9b00222

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