Compound Detail
CHEMBL1258171
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Basic Information
| ChEMBL ID | CHEMBL1258171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BZWWADKIEYHUBA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
373.5
MW (Da)
3.51
ALogP
5
HBA
0
HBD
47.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Molecular identity unknown CHEMBL612546 | IC50 | 5.72 | 5.72 | 1890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Molecular identity unknown | IC50 | = | 1890.0 | nM | 5.72 | Inhibition of Wnt2/beta-casein signaling in human A549 cells assessed as inhibit... | 20729080 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20729080 | 10.1016/j.bmcl.2010.07.088 | Molecular identity unknown | 4 |
| 20729080 | 10.1016/j.bmcl.2010.07.088 | A549 | 3 |
| 20729080 | 10.1016/j.bmcl.2010.07.088 | Protein Wnt-2 | 1 |
Data from ChEMBL 36 via Core Engine