Compound Detail
CHEMBL3943439
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Basic Information
| ChEMBL ID | CHEMBL3943439 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNEVPFXTJKRBLA-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
262.3
MW (Da)
2.10
ALogP
6
HBA
2
HBD
79.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TCF4-CTNNB1 complex CHEMBL3885541 | Ki | 5.14 | 5.14 | 7240.0 | 1 |
| Catenin beta-1 CHEMBL5866 | Ki | 5.14 | 4.645 | 7240.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Catenin beta-1 | Ki | = | 7240.0 | nM | 5.14 | Fluorescence Polarization (FP) Assay: Experiments were performed in 96-well Micr... | - |
| TCF4-CTNNB1 complex | Ki | = | 7240.0 | nM | 5.14 | Inhibition of wild type beta-Catenin (142 to 686 residues) (unknown origin)/C-te... | 36183504 |
| Catenin beta-1 | Ki | = | 7240.0 | nM | 5.14 | Fluorescence Polarization (FP) Assay: Experiments were performed in 96-well Micr... | - |
| Catenin beta-1 | Ki | = | 70370.0 | nM | 4.15 | AlphaScreen Assay: Experiments were performed in white opaque 384-well plates fr... | - |
| Catenin beta-1 | Ki | = | 70370.0 | nM | 4.15 | AlphaScreen Assay: Experiments were performed in white opaque 384-well plates fr... | - |
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