Compound ID | 477

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RU 79115

Class: Bacterial topoisomerase inhibitor (coumarin derivative)

Spectrum of activity: Gram-negative
Details of activity: GyrB inhibitor
Institute where first reported: Houchst Marion Roussel; Aventis (Sanofi-Aventis, France)
Year first mentioned: 1999
Highest developmental phase: Preclinical
Development status: Active
Chemical structure(s):
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Molecular weight: 560.55
Iso. SMILES: CC1=C(C=CC2=C1OC(=O)C(=C2O)/C(=N/OC)/C)O[C@H]3[C@@H]([C@@H]([C@H](C4(O3)CCCC4)OC)OC(=O)NOCC#C)O
InChI Key: RPMCURGEXRVXOZ-DFZUUQEWSA-N
Can. SMILES: C#CCONC(=O)O[C@H]1[C@H]([C@H](OC2=C(C)C3=C(C=C2)C(=C(/C(=N/OC)/C)C(=O)O3)O)OC4(CCCC4)[C@@H]1OC)O
InChI: InChI=1S/C27H32N2O11/c1-6-13-36-29-26(33)39-22-20(31)25(40-27(23(22)34-4)11-7-8-12-27)37-17-10-9-16-19(30)18(15(3)28-35-5)24(32)38-21(16)14(17)2/h1,9-10,20,22-23,25,30-31H,7-8,11-13H2,2-5H3,(H,29,33)/b28-15+/t20-,22+,23-,25-/m1/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/135462911
Citations:
  • http://cid.oxfordjournals.org/content/31/6/1423.full.pdf
  • https://www.ncbi.nlm.nih.gov/pubmed/17876001
  • http://www.ncbi.nlm.nih.gov/pubmed/17132020
  • https://www.drugbank.ca/drugs/DB01051

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