Compound Detail
CHEMBL5397220
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COc1c(CC(C)OC(=O)c2c(C)cc(O)cc2C)c2c3c(CC(C)OC(=O)c4c(C)cc(O)cc4O)c(OC)c(=O)c4c(O)cc(OC)c(c5c(OC)cc(O)c(c1=O)c52)c43
Basic Information
| ChEMBL ID | CHEMBL5397220 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGWJRVUEKKKZMZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
848.9
MW (Da)
6.96
ALogP
15
HBA
5
HBD
224.8
PSA (Ų)
0.05
QED
3
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TCF4-CTNNB1 complex CHEMBL3885541 | IC50 | 5.39 | 5.195 | 4100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TCF4-CTNNB1 complex | IC50 | = | 4100.0 | nM | 5.39 | Inhibition of human beta-Catenin/GST-tagged TCF4 (unknown origin) protein-protei... | 36183504 |
| TCF4-CTNNB1 complex | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of beta-Catenin/GST-tagged TCF4 protein-protein interaction in human ... | 36183504 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36183504 | 10.1016/j.ejmech.2022.114789 | TCF4-CTNNB1 complex | 2 |
Data from ChEMBL 36 via Core Engine