FIALURIDINE

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Synonyms
Status
Molecule Category Free-form
UNII 53T7IN77LC

Structure

InChI Key IPVFGAYTKQKGBM-BYPJNBLXSA-N
Smiles O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)cc1I
InChI
InChI=1S/C9H10FIN2O5/c10-5-6(15)4(2-14)18-8(5)13-1-3(11)7(16)12-9(13)17/h1,4-6,8,14-15H,2H2,(H,12,16,17)/t4-,5+,6-,8-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10FIN2O5
Molecular Weight 372.09
AlogP -1.27
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
- - - 140-950 99
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cowpox virus
- 240 - - -
Homo sapiens
- - - - 99
Human herpesvirus 1
- - - 140 -
Human herpesvirus 2
- - - 950 -
Rattus norvegicus
- 700 - - -

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL271475
DrugBank DB15427
FDA SRS 53T7IN77LC
PubChem 50313
SureChEMBL SCHEMBL3189
ZINC ZINC000004216113
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