Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4214188

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(Nc1ccc(F)c(F)c1)c1cc(S(=O)(=O)N2CCC(F)(F)CC2)ccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4214188
Phase Preclinical
Structure Type MOL
InChI Key DNACAZUZJKPGPX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

434.4
MW (Da)
3.78
ALogP
3
HBA
1
HBD
66.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15F5N2O3S
MW 434.39
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -2.13

Activity Summary

EC50 1 meas. best 5.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatitis B virus
CHEMBL613497
 EC50 5.35 5.35 4500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hepatitis B virus EC50 = 4500.0 nM 5.35 Antiviral activity against HBV infected in human HepAD38 cells assessed as reduc... 28688280

Literature References

PubMed DOI Target Context # Activities
28688280 10.1016/j.ejmech.2017.06.062 Hepatitis B virus 2
28688280 10.1016/j.ejmech.2017.06.062 PBMC 1
28688280 10.1016/j.ejmech.2017.06.062 CCRF-CEM 1
28688280 10.1016/j.ejmech.2017.06.062 Vero 1
28688280 10.1016/j.ejmech.2017.06.062 HepG2 1

Data from ChEMBL 36 via Core Engine