Compound Detail
CHEMBL4472031
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Basic Information
| ChEMBL ID | CHEMBL4472031 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNKOHEBMKXAZER-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
4.29
ALogP
4
HBA
1
HBD
59.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4900.0 | nM | 5.31 | Inhibition of Wnt3a activated Wnt/beta-catenin signaling (unknown origin) expres... | 30605343 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30605343 | 10.1021/acs.jmedchem.8b01408 | HEK293 | 1 |
| 30605343 | 10.1021/acs.jmedchem.8b01408 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine