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

CHEMBL4849950

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(Cl)c2c(c1)C(=O)c1ccccc1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4849950
Phase Preclinical
Structure Type MOL
InChI Key WRJVLGUSGCVLDE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

286.7
MW (Da)
2.81
ALogP
3
HBA
1
HBD
71.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H7ClO4
MW 286.67
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.21

Activity Summary

IC50 1 meas. best 4.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transthyretin
CHEMBL3194
 IC50 4.92 4.92 12000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Transthyretin IC50 = 12000.0 nM 4.92 Inhibition of acid-mediated aggregation of TTR V30M mutant (unknown origin) expr... 34225167

Literature References

PubMed DOI Target Context # Activities
34225167 10.1016/j.bmc.2021.116292 Transthyretin 1

Data from ChEMBL 36 via Core Engine