Compound ID | 2429

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Spiropyrimidinetrione 42

Synonym(s): DNA Gyrase-IN-1

Class: Small molecule antibacterial agent

Agent Type: Synthetic; Small molecule; Direct acting;
Spectrum of activity: Antimycobacterial
Mechanism of action: DNA synthesis inhibitor. Bacterial topoisomerase inhibitor
Target Pathogen: Active against Mycobacterium tuberculosis
Description: Synthetic compound; analogues reported; low cytotoxicity towards HepG2 (IC50 at >300 uM vs MIC at 0.49 uM)
Year first mentioned: 2022
Development status: Experimental
Chemical structure(s):
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Molecular weight: 525.49
Iso. SMILES: C[C@@H]1CN2[C@H]([C@@H](N1C#N)C)C3(CC4=CC5=C(C(=C42)F)ON=C5OC[C@@H]6CCC(=O)N6)C(=O)NC(=O)NC3=O
InChI Key: CEVFXBOLWXVYCW-FNPAYESESA-N
Can. SMILES: C[C@@H]1CN2C3=C(C4=C(C=C3CC5([C@H]2[C@H](C)N1C#N)C(=O)NC(=O)NC5=O)C(=NO4)OC[C@@H]6CCC(=O)N6)F
InChI: InChI=1S/C24H24FN7O6/c1-10-7-31-17-12(5-14-18(16(17)25)38-30-20(14)37-8-13-3-4-15(33)27-13)6-24(19(31)11(2)32(10)9-26)21(34)28-23(36)29-22(24)35/h5,10-11,13,19H,3-4,6-8H2,1-2H3,(H,27,33)(H2,28,29,34,35,36)/t10-,11+,13+,19-/m1/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/163409172
Citation: https://pubs.acs.org/doi/10.1021/acs.jmedchem.2c00266

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