Compound Detail
CHEMBL3921998
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Cc1ccc2nc(N3CCC3)nc(NCc3ccc(NC(=O)C4CCN(Cc5ccccc5)CC4)cc3)c2c1
Basic Information
| ChEMBL ID | CHEMBL3921998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNIJMIWIFOAASJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
520.7
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 2 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TCF4/beta-catenin CHEMBL3038511 | IC50 | 6.37 | 6.365 | 423.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TCF4/beta-catenin | IC50 | = | 423.0 | nM | 6.37 | Inhibition of TCF-4/beta catenin in human Tcf33.13 cells expressing Tcf-4/SV40 b... | - |
| TCF4/beta-catenin | IC50 | = | 434.0 | nM | 6.36 | Inhibition of TCF-4/beta catenin in human Tcf22C11 cells expressing Tcf-4/SV40 b... | - |
Data from ChEMBL 36 via Core Engine