Compound Detail
CHEMBL2323031
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Basic Information
| ChEMBL ID | CHEMBL2323031 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPOGUPFTDTXHJI-JWGURIENSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
392.4
MW (Da)
1.38
ALogP
5
HBA
3
HBD
128.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TCF4/beta-catenin CHEMBL3038511 | Ki | 4.8 | 4.74 | 16000.0 | 2 |
| Cadherin-1/Transcription factor 7-like 2 CHEMBL3885533 | Ki | 4.17 | 4.17 | 68000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TCF4/beta-catenin | Ki | = | 16000.0 | nM | 4.8 | Inhibition of human beta-casein/Tcf4 interaction after 1 hr by fluorescence pola... | 24900664 |
| TCF4/beta-catenin | Ki | = | 21000.0 | nM | 4.68 | Inhibition of human beta-casein/Tcf4 interaction after 1 hr by alphascreen assay | 24900664 |
| Cadherin-1/Transcription factor 7-like 2 | Ki | = | 68000.0 | nM | 4.17 | Inhibition of human beta-casein/E-cadherin interaction after 1 hr by alphascreen... | 24900664 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900664 | 10.1021/ml300367f | Unchecked | 4 |
| 24900664 | 10.1021/ml300367f | Adenomatous polyposis coli protein/Transcription factor 7-like 2 | 2 |
| 24900664 | 10.1021/ml300367f | Cadherin-1/Transcription factor 7-like 2 | 2 |
| 24900664 | 10.1021/ml300367f | TCF4/beta-catenin | 2 |
Data from ChEMBL 36 via Core Engine