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

CHEMBL202572

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
COc1c(C(C)=O)c(O)c(OCc2cccc(OC(F)(F)F)c2)c2occc12

Basic Information

ChEMBL ID CHEMBL202572
Phase Preclinical
Structure Type MOL
InChI Key AJLQKCUXGWXKQR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

396.3
MW (Da)
4.83
ALogP
6
HBA
1
HBD
78.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15F3O6
MW 396.32
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.40

Activity Summary

EC50 1 meas. best 6.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium voltage-gated channel subfamily A member 3
CHEMBL4818
EC50 6.35 6.35 450.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16480279 10.1021/jm050839v Potassium voltage-gated channel subfamily A member 3 1

Data from ChEMBL 36 via Core Engine