ELVUCITABINE

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Synonyms
Status
Molecule Category Free-form
UNII M09BUF90C0
EPA CompTox DTXSID20171185

Structure

InChI Key HSBKFSPNDWWPSL-VDTYLAMSSA-N
Smiles Nc1nc(=O)n([C@@H]2C=C[C@H](CO)O2)cc1F
InChI
InChI=1S/C9H10FN3O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h1-3,5,7,14H,4H2,(H2,11,12,15)/t5-,7+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10FN3O3
Molecular Weight 227.19
AlogP -0.59
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 90.37
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 16.0

Pharmacology

Mechanism of Action Action Reference
DNA polymerase/reverse transcriptase inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
140-180 - - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Hepatitis B virus
8-8 - - - -
Homo sapiens
17-67 460 - - 50-70
Human immunodeficiency virus
100-200 - - - -
Human immunodeficiency virus 1
34 - - - -

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL38700
DrugBank DB06236
FDA SRS M09BUF90C0
PubChem 469717
SureChEMBL SCHEMBL1649928
ZINC ZINC000000007048
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