Compound Detail
CHEMBL3589009
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Basic Information
| ChEMBL ID | CHEMBL3589009 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTDYVSIBWGVBKU-UHFFFAOYSA-N |
1
Targets
10
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
4.80
ALogP
4
HBA
1
HBD
55.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas.
IC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.96 | 5.79 | 1100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of beta-catenin/Tcf4 interaction in human SW480 cells assessed as dec... | 25985283 |
| Unchecked | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of interaction of beta-catenin (unknown origin) transfected in Wnt-ac... | 25985283 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26807545 | 10.1016/j.ejmech.2016.01.014 | Telomerase reverse transcriptase | 7 |
| 25985283 | 10.1021/acs.jmedchem.5b00223 | Unchecked | 2 |
| 25985283 | 10.1021/acs.jmedchem.5b00223 | Catenin beta-1 | 1 |
| 26807545 | 10.1016/j.ejmech.2016.01.014 | Molecular identity unknown | 1 |
| 35581674 | 10.1021/acs.jmedchem.2c00228 | Catenin beta-1 | 1 |
| 36183504 | 10.1016/j.ejmech.2022.114789 | TCF4-CTNNB1 complex | 1 |
Data from ChEMBL 36 via Core Engine