SPARFLOXACIN

Search structure
Trade Names:
Synonyms:
Status: Approved (1996) Withdrawn (2001)
Entry Type: Small molecule
Molecule Category: Parent
ATC: J01MA09
UNII: Q90AGA787L

Structure
InChI Key DZZWHBIBMUVIIW-DTORHVGOSA-N
Smile C[C@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1
InChI
InChI=1S/C19H22F2N4O3/c1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6,22H2,1-2H3,(H,27,28)/t8-,9+

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H22F2N4O3
Molecular Weight 392.41
AlogP 2.08
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 100.59
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial DNA gyrase inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - -
Enzyme Isomerase
- 0.25 - - -
Enzyme Transferase
- - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -0.84-4.74
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 18000-127600 - 38619.4 -
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 88800 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteomyelitis 1 D010019 ClinicalTrials

Related Entries

Scaffolds

Side Effects from Label

Cross References

Resources Reference
CAS NUMBER 110871-86-8
ChEBI 9212
ChEMBL CHEMBL850
DrugBank DB01208
DrugCentral 2466
EPA CompTox DTXSID9023590
FDA SRS Q90AGA787L
Human Metabolome Database HMDB15339
Guide to Pharmacology 10860
KEGG C07662
PharmGKB PA451472
PubChem 6956367
SureChEMBL SCHEMBL41311
ZINC ZINC000000538362
CONTENTS