Compound Detail
CHEMBL3961169
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Cc1ccc2c(NCc3ccc(NC(=O)C4CCN(Cc5ccccc5)CC4)cc3)nc(N3CCN(c4ncccn4)CC3)nc2c1
Basic Information
| ChEMBL ID | CHEMBL3961169 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CXCCXQJROQTCHJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
627.8
MW (Da)
5.52
ALogP
9
HBA
2
HBD
102.4
PSA (Ų)
0.22
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TCF4/beta-catenin CHEMBL3038511 | IC50 | 6.44 | 6.375 | 365.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TCF4/beta-catenin | IC50 | = | 365.0 | nM | 6.44 | Inhibition of TCF-4/beta catenin in human Tcf33.13 cells expressing Tcf-4/SV40 b... | - |
| TCF4/beta-catenin | IC50 | = | 494.0 | nM | 6.31 | Inhibition of TCF-4/beta catenin in human Tcf22C11 cells expressing Tcf-4/SV40 b... | - |
Data from ChEMBL 36 via Core Engine