Compound ID | 534

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CG-400462

Synonym(s): CG400462

Class: Fatty acid synthesis inhibitor (FabI inhibitor, naphthylidine derivative)

Spectrum of activity: Gram-positive
Details of activity: Inhibits FabI, which determins the completing of each cycle of elongation in the fatty acid synthesis; active against Staphylococcus aureus
Propensity to select resistant mutants: Yes (1E-8 – 1E-10)
Description: Kim C, Lee C, Kim J, Kang S, et al. CG400462 and CG400463, a novel FabI inhibitor with potent in vivo activity. 46th-Intersci-Conf-Antimicrobial-Agents-Chemother 2006;209
Institute where first reported: Crystal Genomics, Republic of Korea
Year first mentioned: 2004
Highest developmental phase: Preclinical
Development status: Experimental
Chemical structure(s):
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Molecular weight: 500.59
Iso. SMILES: CC1=C(C2=CC=CC=C2N1C)CN(C)C(=O)/C=C/C3=CN=C4C(=C3)C=C(C(=O)N4)C(=O)NCCN(C)C
InChI Key: BPEGXHUPOPDPOV-ZHACJKMWSA-N
Can. SMILES: CC1=C(CN(C)C(=O)/C=C/C2=CC3=C(N=C2)NC(=O)C(=C3)C(=O)NCCN(C)C)C4=C(C=CC=C4)N1C
InChI: InChI=1S/C28H32N6O3/c1-18-23(21-8-6-7-9-24(21)34(18)5)17-33(4)25(35)11-10-19-14-20-15-22(27(36)29-12-13-32(2)3)28(37)31-26(20)30-16-19/h6-11,14-16H,12-13,17H2,1-5H3,(H,29,36)(H,30,31,37)/b11-10+
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/72941963
Citation: https://www.sciencedirect.com/science/article/pii/S0924857907003172?via%3Dihub

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