Compound Detail
CHEMBL5276465
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Basic Information
| ChEMBL ID | CHEMBL5276465 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYDSDRZMIWGATN-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
414.9
MW (Da)
4.07
ALogP
8
HBA
4
HBD
119.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase CLK2 CHEMBL4225 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Dual specificity protein kinase CLK1 CHEMBL4224 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| Dual specificity protein kinase CLK4 CHEMBL4203 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| Dual specificity protein kinase CLK3 CHEMBL4226 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase CLK2 | IC50 | = | 6.0 | nM | 8.22 | Inhibition of human CLK2 | 34519506 |
| Dual specificity protein kinase CLK1 | IC50 | = | 17.0 | nM | 7.77 | Inhibition of human CLK1 | 34519506 |
| Dual specificity protein kinase CLK4 | IC50 | = | 25.0 | nM | 7.6 | Inhibition of human CLK4 | 34519506 |
| Dual specificity protein kinase CLK3 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of human CLK3 | 34519506 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34519506 | 10.1021/acs.jmedchem.1c00985 | Dual specificity protein kinase CLK3 | 1 |
| 34519506 | 10.1021/acs.jmedchem.1c00985 | Dual specificity protein kinase CLK1 | 1 |
| 34519506 | 10.1021/acs.jmedchem.1c00985 | Dual specificity protein kinase CLK2 | 1 |
| 34519506 | 10.1021/acs.jmedchem.1c00985 | Dual specificity protein kinase CLK4 | 1 |
Data from ChEMBL 36 via Core Engine