BROXURIDINE

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Synonyms
Status
Molecule Category Free-form
UNII G34N38R2N1
EPA CompTox DTXSID7033105

Structure

InChI Key WOVKYSAHUYNSMH-RRKCRQDMSA-N
Smiles O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Br
InChI
InChI=1S/C9H11BrN2O5/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 C9H11BrN2O5
Molecular Weight 307.1
AlogP -1.06
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

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enterococcus faecium
- - - - 76-91
Herpes simplex virus (type 1 / strain CL101)
- - - - 99.6
Human herpesvirus 1
- - - 200 -

Related Entries

Cross References

Resources Reference
ChEBI 472552
ChEMBL CHEMBL222280
DrugBank DB12028
DrugCentral 3042
FDA SRS G34N38R2N1
PDB U33
PubChem 6035
SureChEMBL SCHEMBL27755
ZINC ZINC000001081243
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