Compound Detail
CHEMBL2397074
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COC(=O)c1c(C)cc2c(c1O)[C@]1(O)C(=O)c3cc4c(c(O)c3C(=O)[C@]1(OC)[C@H](O)C2)C(=O)C=C(N[C@@H]1O[C@H](C)[C@@H](OC)[C@H](O)[C@@H]1OC)C4=O
Basic Information
| ChEMBL ID | CHEMBL2397074 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAXIGMXDHAMYPV-SUPQFOESSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
697.6
MW (Da)
-0.25
ALogP
16
HBA
6
HBD
244.7
PSA (Ų)
0.21
QED
3
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TCF4-CTNNB1 complex CHEMBL3885541 | IC50 | 6.19 | 6.19 | 640.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TCF4-CTNNB1 complex | IC50 | = | 640.0 | nM | 6.19 | Inhibition of human beta-Catenin/GST-tagged TCF4 (unknown origin) protein-protei... | 36183504 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23566764 | 10.1016/j.bmc.2013.02.050 | Catenin beta-1 | 1 |
| 36183504 | 10.1016/j.ejmech.2022.114789 | TCF4-CTNNB1 complex | 1 |
Data from ChEMBL 36 via Core Engine