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

CHEMBL5267302

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(Cl)c(C(F)(F)F)c1)Nc1cc(F)c(F)c(F)c1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5267302
Phase Preclinical
Structure Type MOL
InChI Key WPUOYLBYJHIHOI-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

386.6
MW (Da)
5.56
ALogP
1
HBA
2
HBD
41.1
PSA (Ų)
0.40
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H6ClF7N2O
MW 386.65
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.99

Activity Summary

IC50 2 meas. best 5.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HepG2
CHEMBL395
 IC50 5.15 5.15 7090.0 1
HeLa
CHEMBL399
 IC50 5.05 5.05 8900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HepG2 IC50 = 7090.0 nM 5.15 Cytotoxicity against human HepG2 cells by SRB assay 36067930
HeLa IC50 = 8900.0 nM 5.05 Cytotoxicity against human HeLa cells by SRB assay 36067930

Literature References

PubMed DOI Target Context # Activities
36067930 10.1016/j.bmcl.2022.128975 Staphylococcus aureus 19
36067930 10.1016/j.bmcl.2022.128975 Enterococcus faecium 5
36067930 10.1016/j.bmcl.2022.128975 Enterococcus faecalis 4
36067930 10.1016/j.bmcl.2022.128975 Staphylococcus epidermidis 4
36067930 10.1016/j.bmcl.2022.128975 HeLa 1
36067930 10.1016/j.bmcl.2022.128975 HepG2 1

Data from ChEMBL 36 via Core Engine