BRIVUDINE

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Synonyms
Status
Molecule Category Free-form
ATC J05AB15
UNII 2M3055079H
EPA CompTox DTXSID0045755

Structure

InChI Key ODZBBRURCPAEIQ-PIXDULNESA-N
Smiles O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br
InChI
InChI=1S/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/b2-1+/t7-,8+,9+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H13BrN2O5
Molecular Weight 333.14
AlogP -0.46
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 104.55
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 19.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- 300 - 100-240 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
30-160 1-600 - - -
Human alphaherpesvirus 1
40-40 - - - -
Human alphaherpesvirus 1 strain KOS
10-100 - - - -
Human alphaherpesvirus 3
6.6-420 - - - -
Human herpesvirus 1
38-120 - - 240 -
Human herpesvirus 1 strain KOS
7-400 - - - -
Human herpesvirus 2
- 76 - - -
Human herpesvirus 3
3-570 - - - -
Human herpesvirus 3 strain Oka vaccine
3-55 - - - -
Human herpesvirus 5
16 - - - -
herpes simplex virus
- - - 100-100 -

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL31634
DrugBank DB03312
DrugCentral 397
FDA SRS 2M3055079H
PDB BVD
PubChem 446727
SureChEMBL SCHEMBL99350
ZINC ZINC000003653378
CONTENTS