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Compound Detail

CHEMBL5284574

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O=C(O)c1cc(-c2c(F)cc(F)cc2Cl)cc(Br)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5284574
Phase Preclinical
Structure Type MOL
InChI Key SIJIPOJSJGQQPV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

363.5
MW (Da)
4.45
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H6BrClF2O3
MW 363.54
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.61

Activity Summary

IC50 1 meas. best 5.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.44 5.44 3600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 3600.0 nM 5.44 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