IDOXURIDINE

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Trade Names
Synonyms
IDU
Status
Molecule Category Free-form
ATC D06BB01 J05AB02 S01AD01
UNII LGP81V5245
EPA CompTox DTXSID2045238

Structure

InChI Key XQFRJNBWHJMXHO-RRKCRQDMSA-N
Smiles O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I
InChI
InChI=1S/C9H11IN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H11IN2O5
Molecular Weight 354.1
AlogP -1.22
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 17.0

Pharmacology

Mechanism of Action Action Reference
DNA inhibitor INHIBITOR DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - 90 31-56
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cercopithecidae
- - - - 21.47
Chlorocebus sabaeus
- - - - 100
Cowpox virus
400 - - - -
Enterococcus faecium
- - - - 12-71
Herpes simplex virus (type 1 / strain CL101)
- - - - 99.7
Homo sapiens
- - - - 31-56
Human herpesvirus 1
- - - 200-400 31.05-100
Mesocricetus auratus
- - - - 37
Mus musculus
- - - - 100
herpes simplex virus
- - - 90-90 -

Related Entries

Cross References

Resources Reference
ChEBI 147675
ChEMBL CHEMBL788
DrugBank DB00249
DrugCentral 1417
FDA SRS LGP81V5245
Human Metabolome Database HMDB0014394
KEGG D00342
PDB ID2
PharmGKB PA164781019
PubChem 5905
SureChEMBL SCHEMBL3683
ZINC ZINC000003834173
CONTENTS