Compound Detail
CHEMBL5436013
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Basic Information
| ChEMBL ID | CHEMBL5436013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIEDALLWQOZBSN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
2.28
ALogP
5
HBA
1
HBD
81.7
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TCF4-CTNNB1 complex CHEMBL3885541 | IC50 | 6.28 | 6.28 | 530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TCF4-CTNNB1 complex | IC50 | = | 530.0 | nM | 6.28 | Inhibition of beta-Catenin (301 to 670 residues)/TCF4 protein-protein interactio... | 36183504 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36183504 | 10.1016/j.ejmech.2022.114789 | TCF4-CTNNB1 complex | 1 |
Data from ChEMBL 36 via Core Engine