Compound Detail
CHEMBL5081888
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Basic Information
| ChEMBL ID | CHEMBL5081888 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLAPBLMPGXKRBF-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
3.49
ALogP
5
HBA
2
HBD
89.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 7.92 | 7.845 | 12.0 | 2 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B CHEMBL5543 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 2 CHEMBL4376 | IC50 | 6.4 | 6.4 | 400.0 | 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 | = | 12.0 | nM | 7.92 | Inhibition of DYRK1A (unknown origin) assessed as accumulation of ADP by ADP hun... | 34143631 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B | IC50 | = | 13.0 | nM | 7.89 | Inhibition of DYRK1B (unknown origin) by TR FRET assay | 34143631 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 17.0 | nM | 7.77 | Inhibition of DYRK1A (unknown origin) by TR FRET assay | 34143631 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 2 | IC50 | = | 400.0 | nM | 6.4 | Inhibition of DYRK2 (unknown origin) by TR FRET assay | 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 | Dual specificity tyrosine-phosphorylation-regulated kinase 1B | 1 |
| 34143631 | 10.1021/acs.jmedchem.1c00024 | Cyclin-dependent kinase 9 | 1 |
| 34143631 | 10.1021/acs.jmedchem.1c00024 | Serine/threonine-protein kinase pim-1 | 1 |
| 34143631 | 10.1021/acs.jmedchem.1c00024 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine