Compound Detail
CHEMBL5854942
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Basic Information
| ChEMBL ID | CHEMBL5854942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXYLRAROOFHVTK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
3.08
ALogP
8
HBA
1
HBD
102.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | EC50 | 7.62 | 7.62 | 24.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | EC50 | 6.47 | 6.47 | 342.0 | 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 | = | 24.0 | nM | 7.62 | Kinase Assay: The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyt... | - |
| Glycogen synthase kinase-3 beta | EC50 | = | 342.0 | nM | 6.47 | Kinase Assay: Briefly, recombinant GSK3β kinase, ATP and Ser/Thr peptide 09 are ... | - |
Data from ChEMBL 36 via Core Engine