Compound Detail
CHEMBL4877372
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Basic Information
| ChEMBL ID | CHEMBL4877372 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QRSDMYDAAAYXDZ-JTQLQIEISA-N |
1
Targets
2
Activities
2
Assay Types
1
PK Parameters
10
Publications
0
Known Names
Molecular Properties
281.3
MW (Da)
0.72
ALogP
7
HBA
1
HBD
85.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.87
Kd 1 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | Kd | 7.14 | 7.14 | 72.8 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 6.87 | 6.87 | 134.9 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | 2.2 | 10^6/M/s | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Kd | = | 72.8 | nM | 7.14 | Binding affinity to biotinylated DYRK1A (unknown origin) expressed in Escherichi... | 34342227 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 134.9 | nM | 6.87 | Displacement of Kinase tracer 236 from biotinylated DYRK1A (unknown origin) expr... | 34342227 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34342227 | 10.1021/acs.jmedchem.1c01115 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 5 |
| 34342227 | 10.1021/acs.jmedchem.1c01115 | ADMET | 2 |
| 34342227 | 10.1021/acs.jmedchem.1c01115 | No relevant target | 1 |
| 34342227 | 10.1021/acs.jmedchem.1c01115 | Dual specificity tyrosine-phosphorylation-regulated kinase 1B | 1 |
| 34342227 | 10.1021/acs.jmedchem.1c01115 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 | 1 |
| 34342227 | 10.1021/acs.jmedchem.1c01115 | Dual specificity protein kinase CLK1 | 1 |
| 34342227 | 10.1021/acs.jmedchem.1c01115 | Dual specificity protein kinase CLK2 | 1 |
| 34342227 | 10.1021/acs.jmedchem.1c01115 | Dual specificity protein kinase CLK3 | 1 |
| 34342227 | 10.1021/acs.jmedchem.1c01115 | Cyclin-dependent kinase 2 | 1 |
| 34342227 | 10.1021/acs.jmedchem.1c01115 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine