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Compound Detail

CHEMBL5285547

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CC(NS(=O)(=O)c1c2ncccc2c(C(=O)Nc2ccc(F)c(F)c2)n1C)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5285547
Phase Preclinical
Structure Type MOL
InChI Key UHDUNSHBYZIFDC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

462.4
MW (Da)
3.33
ALogP
5
HBA
2
HBD
93.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15F5N4O3S
MW 462.40
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.60

Activity Summary

EC50 1 meas. best 10.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatitis B virus
CHEMBL613497
 EC50 10.0 10.0 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatitis B virus EC50 = 0.1 nM 10.0 Antiviral activity against Hepatitis B virus infected in HepG2.2.15 cells 32949990

Literature References

PubMed DOI Target Context # Activities
32949990 10.1016/j.ejmech.2020.112714 Hepatitis B virus 2
32949990 10.1016/j.ejmech.2020.112714 HepG2 2.2.15 1

Data from ChEMBL 36 via Core Engine