Compound Detail
CHEMBL5088612
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Basic Information
| ChEMBL ID | CHEMBL5088612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASCVUQZVVRYRBG-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
282.3
MW (Da)
2.04
ALogP
4
HBA
2
HBD
93.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.32
Ki 1 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | Ki | 5.62 | 5.62 | 2400.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 5.32 | 5.32 | 4800.0 | 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 | = | 2400.0 | nM | 5.62 | Binding affinity to DYRK1A (unknown origin) assessed as inhibition constant by A... | 34143631 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 4800.0 | nM | 5.32 | 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 |
Data from ChEMBL 36 via Core Engine