Compound ID | 3499

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GuaBi G2

Class: Nucleotide synthesis inhibitor

Spectrum of activity: Gram-positive  &  Gram-negative
Details of activity: Active against Staphylococcus aureus, Escherichia coli, and Acinetobacter baumannii; targets the bacterial inosine-5'-monophosphate dehydrogenase (GuaB) enzyme involved in guanine nucleotide synthesis
Propensity to select resistant mutants: Low, at 10^-11 at 4-8xMIC
Description: Synthetic compound; rational structure-based drug design; shows low cytotoxicity towards human inosine-5'-monophosphate dehydrogenase (50 uM vs MIC 0.00014~0.48); shows dose-dependent efficacy against Acinetobacter baumannii infection in neutropenic thigh model
Year first mentioned: 2024
Development status: Experimental
Chemical structure(s):
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Molecular weight: 398.89
Iso. SMILES: C[C@@H](C(=O)NC1=CC(=C(C=C1)Cl)N(C)C)NC2=CC3=CC(=CN=C3C=C2)CO
InChI Key: DPOWTSNHUDZSRA-ZDUSSCGKSA-N
Can. SMILES: C[C@@H](C(=O)NC1=CC=C(C(=C1)N(C)C)Cl)NC2=CC3=CC(=CN=C3C=C2)CO
InChI: InChI=1S/C21H23ClN4O2/c1-13(21(28)25-17-4-6-18(22)20(10-17)26(2)3)24-16-5-7-19-15(9-16)8-14(12-27)11-23-19/h4-11,13,24,27H,12H2,1-3H3,(H,25,28)/t13-/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/172640706
Citation: https://journals.asm.org/doi/10.1128/mbio.00897-24

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