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Compound Detail

CHEMBL5424713

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CC(C)(Oc1cccc(C2CCCN(C(=O)OCC3CCCCC3)C2)c1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5424713
Phase Preclinical
Structure Type MOL
InChI Key DPYJZJDKDKILKG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

403.5
MW (Da)
4.82
ALogP
4
HBA
1
HBD
76.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H33NO5
MW 403.52
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness -0.63

Activity Summary

IC50 1 meas. best 5.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
beta-catenin-B-cell lymphoma 9 protein complex
CHEMBL3885525
 IC50 5.41 5.41 3900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
beta-catenin-B-cell lymphoma 9 protein complex IC50 = 3900.0 nM 5.41 Inhibition of N-terminal His6-tagged full-length recombinant beta-catenin (1 to ... 36630177

Literature References

PubMed DOI Target Context # Activities
36630177 10.1021/acs.jmedchem.2c01568 beta-catenin-B-cell lymphoma 9 protein complex 2

Data from ChEMBL 36 via Core Engine