Compound Detail
CHEMBL5083242
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 | CHEMBL5083242 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSJVVYBVCYREFU-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
240.3
MW (Da)
2.34
ALogP
4
HBA
1
HBD
63.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.3
Ki 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | Ki | 7.7 | 7.7 | 20.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Ki | = | 20.0 | nM | 7.7 | Binding affinity to DYRK1A (unknown origin) assessed as inhibition constant by A... | 34143631 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 50.0 | nM | 7.3 | Inhibition of DYRK1A (unknown origin) assessed as accumulation of ADP by ADP hun... | 34143631 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34143631 | 10.1021/acs.jmedchem.1c00024 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 2 |
| 34143631 | 10.1021/acs.jmedchem.1c00024 | Serine/threonine-protein kinase PAK 4 | 1 |
| 34143631 | 10.1021/acs.jmedchem.1c00024 | Serine/threonine-protein kinase pim-1 | 1 |
| 34143631 | 10.1021/acs.jmedchem.1c00024 | Aurora kinase A | 1 |
Data from ChEMBL 36 via Core Engine