CEDAZURIDINE


Synonyms	ASTX-727 COMPONENT CEDAZURIDINE ASTX727 COMPONENT CEDAZURIDINE Cedazuridine E-7727 E7727
Status
Molecule Category	UNKNOWN
UNII	39IS23Q1EW


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

Structure


InChI Key	VUDZSIYXZUYWSC-DBRKOABJSA-N
Smiles	O=C1N[C@H](O)CCN1[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F
InChI	InChI=1S/C9H14F2N2O5/c10-9(11)6(16)4(3-14)18-7(9)13-2-1-5(15)12-8(13)17/h4-7,14-16H,1-3H2,(H,12,17)/t4-,5-,6-,7-/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C9H14F2N2O5
Molecular Weight	268.22
AlogP	-1.57
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	2.0
Polar Surface Area	102.26
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	18.0

Bioactivity

Mechanism of Action	Action	Reference
Cytidine deaminase inhibitor	INHIBITOR	FDA


Protein: Cytidine deaminase Description: Cytidine deaminase Organism : Homo sapiens P32320 ENSG00000158825

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Hydrolase	-	400	-	-	-

Assay Description	Organism	Bioactivity	Reference
Inhibition of human recombinant cytidine deaminase assessed as cytidine to uridine formation	Homo sapiens	400.0 nM

Cross References

Resources	Reference
ChEMBL	CHEMBL3237547
DrugBank	DB15694
FDA SRS	39IS23Q1EW
Guide to Pharmacology	11101
PubChem	25267009
SureChEMBL	SCHEMBL172256
ZINC	ZINC000043205136

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).