TEGOBUVIR

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Synonyms
Status
Molecule Category Free-form
UNII 5NOK5X389M
EPA CompTox DTXSID80142917

Structure

InChI Key XBEQSQDCBSKCHJ-UHFFFAOYSA-N
Smiles Fc1ccccc1-c1nc2ccn(Cc3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)nn3)cc-2n1
InChI
InChI=1S/C25H14F7N5/c26-19-4-2-1-3-17(19)23-33-21-9-10-37(13-22(21)34-23)12-15-6-8-20(36-35-15)16-7-5-14(24(27,28)29)11-18(16)25(30,31)32/h1-11,13H,12H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H14F7N5
Molecular Weight 517.41
AlogP 6.73
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 4.0
Polar Surface Area 56.49
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 37.0

Pharmacology

Mechanism of Action Action Reference
Hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitor INHIBITOR Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
2.9-2.908 - - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 794.33-794.33 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Hepatitis C virus subtype 1b
0.7-5 - - - -
Homo sapiens
- 794.33-794.33 - - -

Cross References

Resources Reference
ChEMBL CHEMBL1957287
DrugBank DB11852
FDA SRS 5NOK5X389M
PubChem 23649154
SureChEMBL SCHEMBL496778
ZINC ZINC000100057121
CONTENTS