Compound Detail
CHEMBL4159941
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Basic Information
| ChEMBL ID | CHEMBL4159941 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMYYCGVKTZWCBB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
232.7
MW (Da)
3.38
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 8.06 | 7.655 | 8.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 8.8 | nM | 8.06 | Inhibition of GST-tagged human recombinant DYRK1A by FRET-based LanthaScreen Eu ... | 30059217 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 56.0 | nM | 7.25 | Inhibition of DYRK1A (unknown origin) | 33528252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30059217 | 10.1021/acs.jmedchem.8b00658 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 4 |
| 30059217 | 10.1021/acs.jmedchem.8b00658 | Unchecked | 2 |
| 33528252 | 10.1021/acs.jmedchem.0c01887 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
Data from ChEMBL 36 via Core Engine