EcoDrugPlus


Synonyms	CP-99219 Trovafloxacin
Status
Molecule Category	Free-form
ATC	J01MA13
UNII	9F388J00UK
EPA CompTox	DTXSID0041145

Synonyms

CP-99219

Trovafloxacin

Status

Molecule Category

Free-form

ATC

J01MA13

UNII

9F388J00UK

EPA CompTox

DTXSID0041145


InChI Key	WVPSKSLAZQPAKQ-CDMJZVDBSA-N
Smiles	N[C@@H]1[C@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@@H]12
InChI	InChI=1S/C20H15F3N4O3/c21-8-1-2-15(13(22)3-8)27-7-12(20(29)30)17(28)9-4-14(23)19(25-18(9)27)26-5-10-11(6-26)16(10)24/h1-4,7,10-11,16H,5-6,24H2,(H,29,30)/t10-,11+,16+

InChI Key

WVPSKSLAZQPAKQ-CDMJZVDBSA-N

Smiles

N[C@@H]1[C@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@@H]12

InChI

InChI=1S/C20H15F3N4O3/c21-8-1-2-15(13(22)3-8)27-7-12(20(29)30)17(28)9-4-14(23)19(25-18(9)27)26-5-10-11(6-26)16(10)24/h1-4,7,10-11,16H,5-6,24H2,(H,29,30)/t10-,11+,16+

Property Name	Value
Molecular Formula	C20H15F3N4O3
Molecular Weight	416.36
AlogP	1.89
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	101.45
Molecular species	ZWITTERION
Aromatic Rings	3.0
Heavy Atoms	30.0

Property Name

Value

Molecular Formula

C20H15F3N4O3

Molecular Weight

416.36

AlogP

1.89

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

101.45

Molecular species

ZWITTERION

Aromatic Rings

3.0

Heavy Atoms

30.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	960	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

960

Resources	Reference
ChEBI	9763
ChEMBL	CHEMBL428
DrugBank	DB00685
DrugCentral	2777
FDA SRS	9F388J00UK
KEGG	C07664
PDB	TR6
SureChEMBL	SCHEMBL34465
ZINC	ZINC000100030989

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

KEGG

PDB

SureChEMBL

ZINC

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

TROVAFLOXACIN

Structure

Physicochemical Descriptors

Pharmacology

Cross References