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

CHEMBL5275465

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(O)c1cc(-c2ccc(Cl)cc2F)ccc1O

Basic Information

ChEMBL ID CHEMBL5275465
Phase Preclinical
Structure Type MOL
InChI Key IAFBETLGGDHENG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

266.6
MW (Da)
3.55
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H8ClFO3
MW 266.65
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.66

Activity Summary

IC50 1 meas. best 4.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.66 4.66 21700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 21700.0 nM 4.66 Inhibition of acid-induced fibrillogenesis of human Transthyretin Y78F mutant ex... 33091848

Literature References

PubMed DOI Target Context # Activities
33091848 10.1016/j.bmc.2020.115794 Unchecked 2

Data from ChEMBL 36 via Core Engine