Compound Detail
CHEMBL4465324
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Basic Information
| ChEMBL ID | CHEMBL4465324 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJLGRJAYJZLONT-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
196.2
MW (Da)
1.76
ALogP
4
HBA
1
HBD
64.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase CLK1 CHEMBL4224 | IC50 | 5.83 | 5.83 | 1480.0 | 2 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 5.66 | 5.66 | 2180.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL5508 | IC50 | 5.66 | 5.66 | 2180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase CLK1 | IC50 | = | 1480.0 | nM | 5.83 | Inhibition of recombinant human N-terminal GST-tagged CLK1 (129 to end residues)... | 30967303 |
| Dual specificity protein kinase CLK1 | IC50 | = | 1480.0 | nM | 5.83 | Inhibition of CLK1 (unknown origin) | 34742016 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 2180.0 | nM | 5.66 | Inhibition of recombinant full-length rat N-terminal GST-tagged DYRK1A was expre... | 30967303 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 2180.0 | nM | 5.66 | Inhibition of DYRK1A (unknown origin) | 34742016 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30967303 | 10.1016/j.bmc.2019.04.005 | Dual specificity protein kinase CLK1 | 3 |
| 30967303 | 10.1016/j.bmc.2019.04.005 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 3 |
| 30967303 | 10.1016/j.bmc.2019.04.005 | Cyclin-dependent kinase 5/CDK5 activator 1 | 2 |
| 30967303 | 10.1016/j.bmc.2019.04.005 | Glycogen synthase kinase-3 | 2 |
| 30967303 | 10.1016/j.bmc.2019.04.005 | Casein kinase I | 2 |
| 34742016 | 10.1016/j.ejmech.2021.113949 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 34742016 | 10.1016/j.ejmech.2021.113949 | Cyclin-dependent kinase 5 | 1 |
| 34742016 | 10.1016/j.ejmech.2021.113949 | Glycogen synthase kinase-3 | 1 |
| 34742016 | 10.1016/j.ejmech.2021.113949 | Dual specificity protein kinase CLK1 | 1 |
| 34742016 | 10.1016/j.ejmech.2021.113949 | Casein kinase I delta/epsilon | 1 |
Data from ChEMBL 36 via Core Engine