Compound Detail
CHEMBL4066450
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Basic Information
| ChEMBL ID | CHEMBL4066450 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYJUPQUBVKLDQY-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
228.2
MW (Da)
2.22
ALogP
3
HBA
2
HBD
58.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 7.26 | 7.16 | 54.8 | 3 |
| HL-60 CHEMBL383 | IC50 | 5.36 | 5.36 | 4360.0 | 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 | = | 54.8 | nM | 7.26 | 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 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 106.0 | nM | 6.97 | Inhibition of human DYRK1A | 30059217 |
| HL-60 | IC50 | = | 4360.0 | nM | 5.36 | Antiproliferative activity against human HL60 cells by tryphan blue assay | 28128938 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30059217 | 10.1021/acs.jmedchem.8b00658 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 6 |
| 30059217 | 10.1021/acs.jmedchem.8b00658 | Unchecked | 4 |
| 33682417 | 10.1021/acs.jmedchem.0c02050 | Glycogen synthase kinase-3 beta | 1 |
| 28128938 | 10.1021/acs.jnatprod.6b01146 | HL-60 | 1 |
| 30059217 | 10.1021/acs.jmedchem.8b00658 | Death-associated protein kinase 3 | 1 |
| 30059217 | 10.1021/acs.jmedchem.8b00658 | Death-associated protein kinase 2 | 1 |
| 30059217 | 10.1021/acs.jmedchem.8b00658 | Death-associated protein kinase 1 | 1 |
| 30059217 | 10.1021/acs.jmedchem.8b00658 | Casein kinase II subunit alpha' | 1 |
| 30059217 | 10.1021/acs.jmedchem.8b00658 | Casein kinase II subunit alpha | 1 |
| 30059217 | 10.1021/acs.jmedchem.8b00658 | Casein kinase I isoform gamma-2 | 1 |
| 30059217 | 10.1021/acs.jmedchem.8b00658 | Casein kinase I isoform epsilon | 1 |
| 30059217 | 10.1021/acs.jmedchem.8b00658 | Casein kinase I isoform delta | 1 |
| 30059217 | 10.1021/acs.jmedchem.8b00658 | Casein kinase I isoform alpha | 1 |
| 30059217 | 10.1021/acs.jmedchem.8b00658 | Dual specificity protein kinase CLK4 | 1 |
| 30059217 | 10.1021/acs.jmedchem.8b00658 | Dual specificity protein kinase CLK2 | 1 |
| 30059217 | 10.1021/acs.jmedchem.8b00658 | Dual specificity protein kinase CLK1 | 1 |
| 30059217 | 10.1021/acs.jmedchem.8b00658 | Citron Rho-interacting kinase | 1 |
| 30059217 | 10.1021/acs.jmedchem.8b00658 | Cyclin-dependent kinase-like 5 | 1 |
| 30059217 | 10.1021/acs.jmedchem.8b00658 | Cyclin-dependent kinase 8 | 1 |
| 30059217 | 10.1021/acs.jmedchem.8b00658 | Cyclin-dependent kinase 7 | 1 |
Data from ChEMBL 36 via Core Engine