Compound Detail
CHEMBL585131
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Cc1ccc2c(NCc3ccc(NC(=O)C4CCN(Cc5ccccc5F)CC4)cc3)nc(N(C)C)nc2c1
Basic Information
| ChEMBL ID | CHEMBL585131 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YAPPCPXCPKDGIM-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
526.7
MW (Da)
5.61
ALogP
6
HBA
2
HBD
73.4
PSA (Ų)
0.31
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Molecular identity unknown CHEMBL612546 | IC50 | 6.5 | 6.39 | 320.0 | 2 |
| TCF4/beta-catenin CHEMBL3038511 | IC50 | 6.48 | 6.365 | 332.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Molecular identity unknown | IC50 | = | 320.0 | nM | 6.5 | Inhibition of Beta casein/Tcf-4 pathway in human Tcf 33.13 cell assessed as inhi... | 19640711 |
| TCF4/beta-catenin | IC50 | = | 332.0 | nM | 6.48 | Inhibition of TCF-4/beta catenin in human Tcf33.13 cells expressing Tcf-4/SV40 b... | - |
| Molecular identity unknown | IC50 | = | 530.0 | nM | 6.28 | Inhibition of Beta casein/Tcf-4 pathway in human Tcf22C11 cell assessed as inhib... | 19640711 |
| TCF4/beta-catenin | IC50 | = | 568.0 | nM | 6.25 | Inhibition of TCF-4/beta catenin in human Tcf22C11 cells expressing Tcf-4/SV40 b... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19640711 | 10.1016/j.bmcl.2009.07.070 | Molecular identity unknown | 2 |
| 19640711 | 10.1016/j.bmcl.2009.07.070 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine