Compound Detail
CHEMBL261214
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COc1c(CC(C)OC(=O)Oc2ccc(O)cc2)c2c3c(CC(C)OC(=O)c4ccccc4)c(OC)c(=O)c4c(O)cc(OC)c(c5c(OC)cc(O)c(c1=O)c52)c43
Basic Information
| ChEMBL ID | CHEMBL261214 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRJYZPCBWDVSGO-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
790.8
MW (Da)
6.98
ALogP
14
HBA
3
HBD
193.6
PSA (Ų)
0.05
QED
3
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TCF4-CTNNB1 complex CHEMBL3885541 | IC50 | 5.5 | 5.3333 | 3200.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TCF4-CTNNB1 complex | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of human GST tagged Tcf4/beta catenin interaction after 2 hrs using f... | 26944615 |
| TCF4-CTNNB1 complex | IC50 | = | 3200.0 | nM | 5.5 | 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 |
| 26944615 | 10.1016/j.bmcl.2016.02.064 | TCF4-CTNNB1 complex | 1 |
Data from ChEMBL 36 via Core Engine