Compound Detail
CHEMBL5283453
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Basic Information
| ChEMBL ID | CHEMBL5283453 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVKCXCCJTOATLV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
371.4
MW (Da)
4.34
ALogP
5
HBA
1
HBD
72.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase CLK1 CHEMBL4224 | IC50 | 8.96 | 8.96 | 1.1 | 1 |
| Dual specificity protein kinase CLK2 CHEMBL4225 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase CLK1 | IC50 | = | 1.1 | nM | 8.96 | Inhibition of human CLK1 | 34519506 |
| Dual specificity protein kinase CLK2 | IC50 | = | 2.4 | nM | 8.62 | Inhibition of human CLK2 | 34519506 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34519506 | 10.1021/acs.jmedchem.1c00985 | Dual specificity protein kinase CLK1 | 1 |
| 34519506 | 10.1021/acs.jmedchem.1c00985 | Dual specificity protein kinase CLK2 | 1 |
Data from ChEMBL 36 via Core Engine