Compound ID | 513

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KB-5246

Class: Fluoroquinolone

Agent Type: Synthetic; Small molecule; Direct acting;
Spectrum of activity: Gram-positive & Gram-negative
Mechanism of action: DNA synthesis inhibitor
Institute where first reported: Kanebo; Nippon Organon
Year first mentioned: 1988
Highest development stage: Phase 1 (2)
Development status: Inactive
Reason dropped: Phase I studies in progress after animal trials showed lower concentrations required (mg/kg against body mass) in mice
Chemical structure(s):
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Molecular weight: 425.86
Iso. SMILES: CN1CCN(CC1)C2=C(C=C3C4=C2OCC5=CSC(=C(C3=O)C(=O)O)N54)F.Cl
InChI Key: YNPLQSCXSPGFPU-UHFFFAOYSA-N
Can. SMILES: CN1CCN(CC1)C2=C3C4=C(C=C2F)C(=O)C(=C5N4C(=CS5)CO3)C(=O)O.Cl
InChI: InChI=1S/C18H16FN3O4S.ClH/c1-20-2-4-21(5-3-20)14-11(19)6-10-13-16(14)26-7-9-8-27-17(22(9)13)12(15(10)23)18(24)25;/h6,8H,2-5,7H2,1H3,(H,24,25);1H
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/6918093
Guide to Pharmacology: KB-5246
Citations:
  • http://aac.asm.org/content/33/11/1896.long
  • http://www.chemdrug.com/article/8/3285/16420781.html

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