Compound Detail
CHEMBL5082044
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Basic Information
| ChEMBL ID | CHEMBL5082044 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJCRALOGJOLXCU-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
3.58
ALogP
6
HBA
3
HBD
92.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B CHEMBL5543 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 8.15 | 7.875 | 7.0 | 2 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 2 CHEMBL4376 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B | IC50 | = | 1.0 | nM | 9.0 | Inhibition of DYRK1B (unknown origin) by TR FRET assay | 34143631 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 7.0 | nM | 8.15 | Inhibition of DYRK1A (unknown origin) by TR FRET assay | 34143631 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 2 | IC50 | = | 14.0 | nM | 7.85 | Inhibition of DYRK2 (unknown origin) by ADP hunter plus assay | 34143631 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 25.0 | nM | 7.6 | Inhibition of DYRK1A (unknown origin) assessed as accumulation of ADP by ADP hun... | 34143631 |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 3700.0 | nM | 5.43 | Inhibition of PIM1 (unknown origin) by ADP hunter plus 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 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 | 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 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine