CLEVUDINE

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Search structure


Synonyms	Clevudine L-FMAU Levovir
Status
Molecule Category	UNKNOWN
ATC	J05AF12
UNII	IN51MVP5F1


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

Structure


InChI Key	GBBJCSTXCAQSSJ-XQXXSGGOSA-N
Smiles	Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)c(=O)[nH]c1=O
InChI	InChI=1S/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6+,7-,9-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C10H13FN2O5
Molecular Weight	260.22
AlogP	-1.57
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	104.55
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	18.0

Bioactivity

Mechanism of Action	Action	Reference
Protein P inhibitor	INHIBITOR	PubMed PubMed

Assay Description	Organism	Bioactivity	Reference
Antiviral activity against HBV infected in human HepG2 cells assessed as inhibition of viral replication	Hepatitis B virus	100.0 nM
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate	Severe acute respiratory syndrome coronavirus 2	24.57 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	-0.05 %		Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging	Chlorocebus sabaeus	-0.05 %

Related Entries

Cross References

Resources	Reference
ChEBI	135964
ChEMBL	CHEMBL458875
DrugBank	DB06683
DrugCentral	4394
FDA SRS	IN51MVP5F1
PubChem	73115
SureChEMBL	SCHEMBL233494
ZINC	ZINC000000001484

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).