Compound Detail
CHEMBL360866
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL360866 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYEFJKRTJUALOK-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
302.3
MW (Da)
2.95
ALogP
6
HBA
0
HBD
59.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.73
Ki 2 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 6.73 | 6.73 | 186.0 | 2 |
| Glycogen synthase kinase-3 beta CHEMBL262 | Ki | 4.7 | 4.7 | 19900.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | Ki | 4.7 | 4.7 | 19900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 186.0 | nM | 6.73 | Inhibition of recombinant human N-terminal Hex-tagged DYRK1A (127 to 485 residue... | 32832032 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 186.21 | nM | 6.73 | Displacement of Kinase tracer 236 from biotinylated DYRK1A (unknown origin) expr... | 34342227 |
| Glycogen synthase kinase-3 beta | Ki | = | 19900.0 | nM | 4.7 | Binding affinity for human glycogen synthase kinase 3 beta | 15341487 |
| Cyclin-dependent kinase 2 | Ki | = | 19900.0 | nM | 4.7 | Binding affinity for human cyclin-dependent kinase 2 | 15341487 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32832032 | 10.1021/acsmedchemlett.0c00279 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 2 |
| 34342227 | 10.1021/acs.jmedchem.1c01115 | ADMET | 2 |
| 15341487 | 10.1021/jm040063i | Glycogen synthase kinase-3 beta | 1 |
| 15341487 | 10.1021/jm040063i | Cyclin-dependent kinase 2 | 1 |
| 15341487 | 10.1021/jm040063i | Cyclin-dependent kinase 4 | 1 |
| 32832032 | 10.1021/acsmedchemlett.0c00279 | Glycogen synthase kinase-3 beta | 1 |
| 32832032 | 10.1021/acsmedchemlett.0c00279 | Cyclin-dependent kinase 2 | 1 |
| 34342227 | 10.1021/acs.jmedchem.1c01115 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 34342227 | 10.1021/acs.jmedchem.1c01115 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine