5-METHYL-2'-FLUOROARAURACIL

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Synonyms
Status
Molecule Category Free-form
UNII 37F7D05ANB
EPA CompTox DTXSID2057659

Structure

InChI Key GBBJCSTXCAQSSJ-JVZYCSMKSA-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-/m1/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

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - 180 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Hepatitis B virus
130 830 - - -
Homo sapiens
100 - - - -
Human herpesvirus 1
- - - 180 100

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL475717
FDA SRS 37F7D05ANB
PubChem 72327
SureChEMBL SCHEMBL139783
ZINC ZINC000000006228
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