Compound Detail
CHEMBL3914848
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Basic Information
| ChEMBL ID | CHEMBL3914848 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJWKSBPTJQMUHJ-LCYFTJDESA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
2.77
ALogP
6
HBA
1
HBD
76.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 4.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Catenin beta-1 CHEMBL5866 | Ki | 4.33 | 4.21 | 46810.0 | 6 |
| TCF4-CTNNB1 complex CHEMBL3885541 | Ki | 4.09 | 4.09 | 80340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Catenin beta-1 | Ki | = | 46810.0 | nM | 4.33 | AlphaScreen Assay: Experiments were performed in white opaque 384-well plates fr... | - |
| Catenin beta-1 | Ki | = | 46810.0 | nM | 4.33 | AlphaScreen Assay: Experiments were performed in white opaque 384-well plates fr... | - |
| Catenin beta-1 | Ki | = | 46810.0 | nM | 4.33 | Fluorescence Polarization (FP) Assay: Experiments were performed in 96-well Micr... | - |
| Catenin beta-1 | Ki | = | 80340.0 | nM | 4.09 | Fluorescence Polarization (FP) Assay: Experiments were performed in 96-well Micr... | - |
| TCF4-CTNNB1 complex | Ki | = | 80340.0 | nM | 4.09 | Inhibition of beta-Catenin/TCF4 (unknown origin) protein-protein interaction ass... | 36183504 |
| Catenin beta-1 | Ki | = | 80340.0 | nM | 4.09 | Fluorescence Polarization (FP) Assay: Experiments were performed in 96-well Micr... | - |
| Catenin beta-1 | Ki | = | 80340.0 | nM | 4.09 | 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