TEGAFUR

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Search structure


Synonyms	Atillon BMS-200604 Citofur Coparogin Exonal FT-207 Fental Franrose Ftorafur Fulaid Fulfeel Furafluor Furofutran Futraful J356.722B
Status
Molecule Category	Free-form
ATC	L01BC03
UNII	1548R74NSZ
EPA CompTox	DTXSID8021305

Structure


InChI Key	WFWLQNSHRPWKFK-UHFFFAOYSA-N
Smiles	O=c1[nH]c(=O)n(C2CCCO2)cc1F
InChI	InChI=1S/C8H9FN2O3/c9-5-4-11(6-2-1-3-14-6)8(13)10-7(5)12/h4,6H,1-3H2,(H,10,12,13)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C8H9FN2O3
Molecular Weight	200.17
AlogP	-0.02
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	64.09
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	14.0

Pharmacology

Mechanism of Action	Action	Reference
DNA inhibitor	INHIBITOR	EMA

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	-	7.8-17.8
Mus musculus	-	-	-	-	17.2-81.8

Target Conservation


Protein: Thymidylate synthase Description: Thymidylate synthase Organism : Homo sapiens P04818 ENSG00000176890

Cross References

Resources	Reference
ChEBI	32188
ChEMBL	CHEMBL20883
DrugBank	DB09256
DrugCentral	4398
FDA SRS	1548R74NSZ
Guide to Pharmacology	10513
KEGG	C12673
PubChem	5386
SureChEMBL	SCHEMBL4552

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, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025