GREPAFLOXACIN

Search structure
Synonyms:
Status: Approved (1997)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: J01MA11
UNII: L1M1U2HC31

Structure
InChI Key AIJTTZAVMXIJGM-UHFFFAOYSA-N
Smile Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1
InChI
InChI=1S/C19H22FN3O3/c1-10-8-22(6-5-21-10)15-7-14-16(11(2)17(15)20)18(24)13(19(25)26)9-23(14)12-3-4-12/h7,9-10,12,21H,3-6,8H2,1-2H3,(H,25,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H22FN3O3
Molecular Weight 359.4
AlogP 2.28
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 74.57
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 50000-77625 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteomyelitis 0 D010019 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 5543
ChEMBL CHEMBL583
DrugBank DB00365
DrugCentral 1330
EPA CompTox DTXSID2048321
FDA SRS L1M1U2HC31
Human Metabolome Database HMDB0014509
Guide to Pharmacology 10818
KEGG C11368
PharmGKB PA449812
PubChem 72474
SureChEMBL SCHEMBL34155
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