Compound ID | 3498

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GuaBi G1

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, 10^-10 ~10^-11 at 4xMIC
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: 382.84
Iso. SMILES: C[C@@H](C(=O)NC1=CN=C(C=C1)Cl)NC2=CC3=C4CCOCC4=CN=C3C=C2
InChI Key: KABILIUXKOMPNU-LBPRGKRZSA-N
Can. SMILES: C[C@@H](C(=O)NC1=CC=C(Cl)N=C1)NC2=CC3=C4CCOCC4=CN=C3C=C2
InChI: InChI=1S/C20H19ClN4O2/c1-12(20(26)25-15-3-5-19(21)23-10-15)24-14-2-4-18-17(8-14)16-6-7-27-11-13(16)9-22-18/h2-5,8-10,12,24H,6-7,11H2,1H3,(H,25,26)/t12-/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/172429193
Citation: https://journals.asm.org/doi/10.1128/mbio.00897-24

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