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

CHEMBL5276223

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=C1CC(c2cc(Cl)cc(Cl)c2)Oc2cc(O)cc(O)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5276223
Phase Preclinical
Structure Type MOL
InChI Key OMKIEBXONQNTMQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

325.1
MW (Da)
4.11
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H10Cl2O4
MW 325.15
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 1.30

Activity Summary

Kd 1 meas. best 8.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transthyretin
CHEMBL3194
 Kd 8.22 8.22 6.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Transthyretin Kd = 6.0 nM 8.22 Binding affinity to TTR V30M mutant (unknown origin) expressed in Escherichia co... 36472374

Literature References

PubMed DOI Target Context # Activities
36472374 10.1021/acs.jmedchem.2c00511 Transthyretin 6

Data from ChEMBL 36 via Core Engine