SITAFLOXACIN

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Search structure


Synonyms	DU-6859A Sitafloxacin Sitafloxacin hydrate Sitafloxacin sesquihydrate
Status
Molecule Category	Mixture
ATC	J01MA21
UNII	9TD681796G
EPA CompTox	DTXSID70936807

Structure


InChI Key	PNUZDKCDAWUEGK-CYZMBNFOSA-N
Smiles	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

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

Cross References

Resources	Reference
CAS NUMBER	163253-35-8
ChEMBL	CHEMBL3989504
FDA SRS	9TD681796G
Guide to Pharmacology	11040
PubChem	72734323
SureChEMBL	SCHEMBL1060786
CAS NUMBER	163253-35-8
ChEBI	4304
ChEMBL	CHEMBL108821
DrugCentral	2449
FDA SRS	9TD681796G
Guide to Pharmacology	11040
PubChem	72734323
SureChEMBL	SCHEMBL74553
ZINC	ZINC000003795983

CONTENTS

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 23^rd March 2026