FLUCYTOSINE


Trade Names	ANCOBON FLUCYTOSINE
Synonyms	Alcobon Ancoban Ancobon Ancotil Flourocytosine Flucytosine Flucytosinum Fluorocytosine NSC-103805 RO 2-9915 RO-2-9915 RO-29915
Status
Molecule Category	UNKNOWN
ATC	D01AE21 J02AX01
UNII	D83282DT06
EPA CompTox	DTXSID3023059


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	XRECTZIEBJDKEO-UHFFFAOYSA-N
Smiles	Nc1nc(=O)[nH]cc1F
InChI	InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C4H4FN3O
Molecular Weight	129.09
AlogP	-0.51
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	0.0
Polar Surface Area	71.77
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	9.0

Pharmacology

Mechanism of Action	Action	Reference
Thymidylate synthase inhibitor	INHIBITOR	DailyMed

Cross References

Resources	Reference
ChEBI	5100
ChEMBL	CHEMBL1463
DrugBank	DB01099
DrugCentral	1188
FDA SRS	D83282DT06
Human Metabolome Database	HMDB0015231
PDB	1LD
PharmGKB	PA449654
PubChem	3366
SureChEMBL	SCHEMBL24063
ZINC	ZINC000000896546

CONTENTS


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).