Compound ID | 1212

Update compound information

DS-8587

Synonym(s): DS8587  |  DS 8587

Class: Fluoroquinolone

Agent Type: Synthetic; Small molecule; Direct acting;
Spectrum of activity: Gram-positive & Gram-negative
Mechanism of action: DNA synthesis inhibitor
Target Pathogen: Active against Acinetobacter baumannii
Institute where first reported: Daiichi Sankyo
Year first mentioned: 2014
Highest development stage: Phase 1
Development status: Inactive
Chemical structure(s):
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Molecular weight: 421.41
Iso. SMILES: CC1=C2C(=CC(=C1N3C[C@@]4(CCC[C@@]4(C3)F)N)F)C(=O)C(=CN2[C@@H]5C[C@@H]5F)C(=O)O
InChI Key: JMXNWTLVUUGTDR-UTQQSMSJSA-N
Can. SMILES: CC1=C(C(=CC2=C1N(C=C(C2=O)C(=O)O)[C@@H]3C[C@@H]3F)F)N4C[C@]5(CCC[C@]5(C4)N)F
InChI: InChI=1S/C21H22F3N3O3/c1-10-16-11(18(28)12(19(29)30)7-27(16)15-6-13(15)22)5-14(23)17(10)26-8-20(24)3-2-4-21(20,25)9-26/h5,7,13,15H,2-4,6,8-9,25H2,1H3,(H,29,30)/t13-,15+,20-,21+/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/56640741
Guide to Pharmacology: DS-8587
Citations:
  • https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3623304/
  • https://www.ncbi.nlm.nih.gov/pubmed/24594453

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