EcoDrugPlus


Synonyms	5'-Deoxy-5-Fluorouridine Capecitabine related compound b Doxifluridine Flutron Fulturon Furtulon NSC-758890 RO 219738 RO-219738
Status
Molecule Category	Free-form
UNII	V1JK16Y2JP
EPA CompTox	DTXSID2022967

Datasets:

Active Pharmaceutical Ingredients

Bioactive chemicals

Agrochemicals

Human Metabolites

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SubStructure

Threshold (%) >= 70


InChI Key	ZWAOHEXOSAUJHY-ZIYNGMLESA-N
Smiles	C[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O
InChI	InChI=1S/C9H11FN2O5/c1-3-5(13)6(14)8(17-3)12-2-4(10)7(15)11-9(12)16/h2-3,5-6,8,13-14H,1H3,(H,11,15,16)/t3-,5-,6-,8-/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C9H11FN2O5
Molecular Weight	246.19
AlogP	-1.69
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	1.0
Polar Surface Area	104.55
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	17.0

Mechanism of Action	Action	Reference
DNA disrupting agent	DISRUPTING AGENT	FDA PubMed

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Mus musculus	-	-	-	-	8-50

Target Conservation


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

Cross References

Resources	Reference
ChEBI	31521
ChEMBL	CHEMBL1130
DrugBank	DB12947
DrugCentral	958
FDA SRS	V1JK16Y2JP
Human Metabolome Database	HMDB0060406
KEGG	C12739
PubChem	18343
SureChEMBL	SCHEMBL8094
ZINC	ZINC000001319177

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

DOXIFLURIDINE

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Cross References