Compound Detail
CHEMBL5072383
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Basic Information
| ChEMBL ID | CHEMBL5072383 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BEGUUMOKKGMCFT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
285.3
MW (Da)
2.67
ALogP
4
HBA
2
HBD
91.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 7.47 | 7.32 | 34.0 | 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 | = | 34.0 | nM | 7.47 | Binding affinity to DYRK1A (unknown origin) assessed as inhibition constant by A... | 34143631 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 68.0 | nM | 7.17 | 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 |
Data from ChEMBL 36 via Core Engine