MFX

1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Created: 2009-01-15
Last modified:  2021-03-01

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Chemical Details

Formal Charge0
Atom Count53
Chiral Atom Count2
Bond Count57
Aromatic Bond Count6
2D diagram of MFX
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Chemical Component Summary

Name1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Synonymsmoxifloxacin
Systematic Name (OpenEye OEToolkits)7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid
FormulaC21 H24 F N3 O4
Molecular Weight401.431
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04Fc2cc1C(=O)C(C(=O)O)=CN(c1c(OC)c2N4CC3CCCNC3C4)C5CC5
SMILESCACTVS3.341COc1c(N2C[CH]3CCCN[CH]3C2)c(F)cc4C(=O)C(=CN(C5CC5)c14)C(O)=O
SMILESOpenEye OEToolkits1.5.0COc1c2c(cc(c1N3CC4CCCNC4C3)F)C(=O)C(=CN2C5CC5)C(=O)O
Canonical SMILESCACTVS3.341 COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc4C(=O)C(=CN(C5CC5)c14)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 COc1c2c(cc(c1N3C[C@@H]4CCCN[C@@H]4C3)F)C(=O)C(=CN2C5CC5)C(=O)O
InChIInChI1.03 InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1
InChIKeyInChI1.03 FABPRXSRWADJSP-MEDUHNTESA-N

Drug Info: DrugBank

DrugBank IDDB00218 
NameMoxifloxacin
Groups
  • investigational
  • approved
DescriptionMoxifloxacin is a synthetic fluoroquinolone antibiotic agent. Bayer AG developed the drug (initially called BAY 12-8039) and it is marketed worldwide (as the hydrochloride) under the brand name Avelox (in some countries also Avalox) for oral treatment.
Synonyms
  • Moxifloxacin hydrochloride
  • 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-((4as,7as)-octahydro-6H-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo-3-quinolinecarboxylic acid
  • Moxifloxacino
  • Moxifloxacin
  • Moxifloxacin hydrochloride monohydrate
Brand Names
  • Act Moxifloxacin
  • Moxifloxacin Injection
  • Moxifloxacin
  • Jamp-moxifloxacin Tablets
  • PMS-moxifloxacin
IndicationFor the treatment of sinus and lung infections such as sinusitis, pneumonia, and secondary infections in chronic bronchitis. Also for the treatment of bacterial conjunctivitis (pinkeye).
Categories
  • 4-Quinolones
  • Anti-Bacterial Agents
  • Anti-Infective Agents
  • Antibacterials for Systemic Use
  • Antiinfectives for Systemic Use
ATC-Code
  • S01AE07
  • J01MA14
CAS number151096-09-2

Drug Targets

NameTarget SequencePharmacological ActionActions
DNA gyrase subunit AMAELPQSRINERNITSEMRESFLDYAMSVIVARALPDVRDGLKPVHRRIL...unknownmodulator
DNA gyrase subunit BMVTALSDVNNTDNYGAGQIQVLEGLEAVRKRPGMYIGSTSERGLHHLVWE...unknownmodulator
DNA gyrase subunit AMTDSIQSSITPVNIEEELKSSYLDYAMSVIVGRALPDVRDGLKPVHRRVL...unknowninhibitor
DNA topoisomerase 4 subunit AMTNINYEGIEQMPLRTFTEKAYLNYSMYVIMDRALPFIGDGLKPVQRRIV...unknowninhibitor
DNA topoisomerase 2-alphaMEVSPLQPVNENMQVNKIKKNEDAKKRLSVERIYQKKTQLEHILLRPDTY...unknowninhibitor
View More
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 40467042, 152946
ChEMBL CHEMBL32
ChEBI CHEBI:63611
CCDC/CSD ABABIQ, KEMBIO, XOHTUL, XOHVEX