Compound Detail
CHEMBL2023701
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Basic Information
| ChEMBL ID | CHEMBL2023701 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVWGRSYEFVJHCX-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
216.2
MW (Da)
1.32
ALogP
5
HBA
2
HBD
87.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.8
Ki 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 6.8 | 6.8 | 158.0 | 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 | = | 100.0 | nM | 7.0 | Binding affinity to DYRK1A (unknown origin) assessed as inhibition constant by A... | 34143631 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 158.0 | nM | 6.8 | Inhibition of DYRK1A (unknown origin) using Ulight-MBP as substrate and ATP as c... | 33975430 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22483591 | 10.1016/j.bmc.2012.03.019 | Xanthine dehydrogenase/oxidase | 1 |
| 34143631 | 10.1021/acs.jmedchem.1c00024 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 34143631 | 10.1021/acs.jmedchem.1c00024 | Serine/threonine-protein kinase PAK 4 | 1 |
| 33975430 | 10.1021/acs.jmedchem.1c00023 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
Data from ChEMBL 36 via Core Engine