SITAFLOXACIN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: J01MA21
UNII: 9TD681796G

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 163253-35-8
ChEBI 4304
ChEMBL CHEMBL108821
DrugCentral 2449
FDA SRS 9TD681796G
Guide to Pharmacology 11040
PubChem 461399
SureChEMBL SCHEMBL74553
ZINC ZINC000003795983
CAS NUMBER 163253-35-8
ChEMBL CHEMBL3989504
FDA SRS 9TD681796G
Guide to Pharmacology 11040
PubChem 461399
SureChEMBL SCHEMBL74553
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