SITAFLOXACIN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: J01MA21
UNII: 45IP57B62B

Structure
InChI Key PNUZDKCDAWUEGK-CYZMBNFOSA-N
Smile N[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@@H]4F)c3c2Cl)CC12CC2
InChI
InChI=1S/C19H18ClF2N3O3/c20-14-15-8(17(26)9(18(27)28)5-25(15)12-4-10(12)21)3-11(22)16(14)24-6-13(23)19(7-24)1-2-19/h3,5,10,12-13H,1-2,4,6-7,23H2,(H,27,28)/t10-,12+,13+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H18ClF2N3O3
Molecular Weight 409.82
AlogP 2.7
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 88.56
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial DNA gyrase inhibitor Other PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 163253-35-8
ChEMBL CHEMBL3989504
FDA SRS 45IP57B62B
Guide to Pharmacology 11040
PubChem 72734323
SureChEMBL SCHEMBL1060786
CAS NUMBER 163253-35-8
ChEBI 4304
ChEMBL CHEMBL108821
DrugCentral 2449
FDA SRS 3GJC60U4Q8
Guide to Pharmacology 11040
PubChem 72734323
SureChEMBL SCHEMBL74553
ZINC ZINC000003795983
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