Compound Detail
CHEMBL1956161
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Basic Information
| ChEMBL ID | CHEMBL1956161 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJWKSBPTJQMUHJ-UKTHLTGXSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
2.77
ALogP
6
HBA
1
HBD
76.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.14
Ki 1 meas. best 4.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Molecular identity unknown CHEMBL612546 | IC50 | 6.14 | 6.14 | 728.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.4 | 5.35 | 4000.0 | 2 |
| Catenin beta-1 CHEMBL5866 | Ki | 4.1 | 4.1 | 80000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Molecular identity unknown | IC50 | = | 728.0 | nM | 6.14 | Inhibition of beta-casein-dependent canonical Wnt3 pathway in human HEK293T cell... | 22191557 |
| Unchecked | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of beta-catenin/Tcf4 interaction in human SW480 cells assessed as dec... | 25985283 |
| Unchecked | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of interaction of beta-catenin (unknown origin) transfected in Wnt-ac... | 25985283 |
| Catenin beta-1 | Ki | = | 80000.0 | nM | 4.1 | Inhibition of human wild-type beta-catenin (residues 138-686)/C-terminally fluor... | 25985283 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25985283 | 10.1021/acs.jmedchem.5b00223 | Unchecked | 2 |
| 22191557 | 10.1021/jm2010223 | Molecular identity unknown | 1 |
| 22191557 | 10.1021/jm2010223 | HEK-293T | 1 |
| 22191557 | 10.1021/jm2010223 | Unchecked | 1 |
| 25985283 | 10.1021/acs.jmedchem.5b00223 | Catenin beta-1 | 1 |
| 25985283 | 10.1021/acs.jmedchem.5b00223 | SW480 | 1 |
| 25985283 | 10.1021/acs.jmedchem.5b00223 | HCT-116 | 1 |
| 25985283 | 10.1021/acs.jmedchem.5b00223 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine