Compound Detail
CHEMBL5769622
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Basic Information
| ChEMBL ID | CHEMBL5769622 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMPUZRPXQGNCSX-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
3.62
ALogP
6
HBA
2
HBD
91.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | EC50 | 8.12 | 8.12 | 7.6 | 2 |
| Glycogen synthase kinase-3 beta CHEMBL262 | EC50 | 7.8 | 7.8 | 16.0 | 2 |
| Proto-oncogene Wnt-1 CHEMBL1255129 | EC50 | 6.13 | 6.13 | 738.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | EC50 | = | 7.6 | nM | 8.12 | The screening assay for DYRK1A kinase activity: Each compound was dissolved in D... | - |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | EC50 | = | 7.6 | nM | 8.12 | Kinase Assay: The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyt... | - |
| Glycogen synthase kinase-3 beta | EC50 | = | 16.0 | nM | 7.8 | The screening assay for GSK3beta kinase activity: Each compound is dissolved in ... | - |
| Glycogen synthase kinase-3 beta | EC50 | = | 16.0 | nM | 7.8 | Kinase Assay: The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte ... | - |
| Proto-oncogene Wnt-1 | EC50 | = | 738.0 | nM | 6.13 | The screening assay for Wnt activity: SW480 colon carcinoma cells were transduce... | - |
Data from ChEMBL 36 via Core Engine