Compound ID | 139

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ACH-702

Class: Small molecule antibacterial agent

Agent Type: Synthetic; Small molecule; Direct acting;
Spectrum of activity: Gram-positive, Gram-negative & Antimycobacterial
Mechanism of action: DNA synthesis inhibitor
Target Pathogen: Broad spectrum activity including Mycobacteria sp.
Description: An isothiazoloquinolone
Institute where first reported: Achillion Pharmaceuticals, USA (outsourced to Ora, Inc.)
Year first mentioned: 2008
Development status: Experimental
Chemical structure(s):
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Molecular weight: 432.51
Iso. SMILES: CC(C)([C@@H]1CCN(C1)C2=C(C=C3C(=C2OC)N(C4=C(C3=O)C(=O)NS4)C5CC5)F)N
InChI Key: CECJUHKZSOSOJJ-SNVBAGLBSA-N
Can. SMILES: CC(C)([C@@H]1CCN(C1)C2=C(C3=C(C=C2F)C(=O)C4=C(N3C5CC5)SNC4=O)OC)N
InChI: InChI=1S/C21H25FN4O3S/c1-21(2,23)10-6-7-25(9-10)16-13(22)8-12-15(18(16)29-3)26(11-4-5-11)20-14(17(12)27)19(28)24-30-20/h8,10-11H,4-7,9,23H2,1-3H3,(H,24,28)/t10-/m1/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/16048804
Citations:
  • http://aac.asm.org/content/54/8/3478.full.pdf
  • http://aac.asm.org/content/56/7/3812.full
  • https://ann-clinmicrob.biomedcentral.com/articles/10.1186/1476-0711-13-13

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