Compound ID | 3635

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Pyridopyrimidine compound 14a

Synonym(s): Compound 14a

Class: Small molecule antibacterial agent

Agent Type: Synthetic; Small molecule; Direct acting;
Spectrum of activity: Gram-negative
Mechanism of action: Fatty acid synthesis inhibitor. Biotin carboxylase inhibitor/ AccC inhibitor/ Acetyl-CoA carboxylase inhibitor
Target Pathogen: Modest activity against Escherichia coli
Propensity to select resistant mutants: Yes, at 9 x 10^-9 at 8-fold MIC
Description: Synthetic compound
Institute where first reported: Achaogen
Year first mentioned: 2019
Development status: Experimental
Chemical structure(s):
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Molecular weight:
Iso. SMILES: C1[C@@H]2[C@@H](C2N)CN1C3=C(C=C4C=NC(=NC4=N3)N)C5=C(C=CC=C5Cl)C6=CN=CC=C6
InChI Key: HVHSJCXSXVCTSR-XEWABKELSA-N
Can. SMILES: C1=CC(=C(C(=C1)C2=CN=CC=C2)C3=C(N=C4C(=C3)C=NC(=N4)N)N5C[C@H]6[C@@H](C5)C6N)Cl
InChI: InChI=1S/C23H20ClN7/c24-18-5-1-4-14(12-3-2-6-27-8-12)19(18)15-7-13-9-28-23(26)30-21(13)29-22(15)31-10-16-17(11-31)20(16)25/h1-9,16-17,20H,10-11,25H2,(H2,26,28,29,30)/t16-,17+,20?
External links:
Structure link: https://pubchem.ncbi.nlm.nih.gov/compound/138756265
Citation: https://pubs.acs.org/doi/10.1021/acs.jmedchem.9b00625
Patent: WO2018023081

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