Compound Detail
CHEMBL3589022
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Basic Information
| ChEMBL ID | CHEMBL3589022 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOLKZPOGIRAFRH-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
269.2
MW (Da)
1.21
ALogP
7
HBA
1
HBD
106.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.6
Ki 2 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Catenin beta-1 CHEMBL5866 | Ki | 5.39 | 5.315 | 4100.0 | 2 |
| Catenin beta-1 CHEMBL5866 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Catenin beta-1 | Ki | = | 4100.0 | nM | 5.39 | Inhibition of N-terminally His6-tagged human beta-catenin (residues 138-686)/C-t... | 25985283 |
| Catenin beta-1 | Ki | = | 5800.0 | nM | 5.24 | Inhibition of human wild-type beta-catenin (residues 138-686)/C-terminally fluor... | 25985283 |
| Catenin beta-1 | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of human wild-type beta-catenin (residues 138-686)/C-terminally fluor... | 25985283 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25985283 | 10.1021/acs.jmedchem.5b00223 | Catenin beta-1 | 5 |
| 35581674 | 10.1021/acs.jmedchem.2c00228 | Catenin beta-1 | 1 |
Data from ChEMBL 36 via Core Engine