TEGOBUVIR

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 5NOK5X389M

Structure
InChI Key XBEQSQDCBSKCHJ-UHFFFAOYSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 56.49
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 37.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitor Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
3-3 - - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 794-794 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hepatitis C, Chronic 2 D019698 ClinicalTrials
Hepatitis C 2 D006526 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1000787-75-6
ChEMBL CHEMBL1957287
DrugBank DB11852
EPA CompTox DTXSID80142917
FDA SRS 5NOK5X389M
PubChem 23649154
SureChEMBL SCHEMBL496778
ZINC ZINC000100057121
CONTENTS