EcoDrugPlus


Synonyms	Grepafloxacin Raxar
Status
Molecule Category	Free-form
ATC	J01MA11
UNII	L1M1U2HC31
EPA CompTox	DTXSID2048321


InChI Key	AIJTTZAVMXIJGM-UHFFFAOYSA-N
Smiles	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)

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

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

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, 2025, gkaf1251 Read...

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

Last update: Monday, 3 November 2025

GREPAFLOXACIN

Structure

Physicochemical Descriptors

Related Entries

Cross References