Compound Detail
CHEMBL5560595
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5560595 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNWOBOAJPYEQBE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
4.40
ALogP
4
HBA
2
HBD
83.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase CLK2 CHEMBL4225 | IC50 | 8.43 | 8.43 | 3.7 | 1 |
| Dual specificity protein kinase CLK3 CHEMBL4226 | IC50 | 7.81 | 7.81 | 15.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase CLK2 | IC50 | = | 3.7 | nM | 8.43 | Inhibition of CLK2 (unknown origin) incubated for 10 mins in presence of ATP | 38500250 |
| Dual specificity protein kinase CLK3 | IC50 | = | 15.6 | nM | 7.81 | Inhibition of CLK3 (unknown origin) incubated for 10 mins in presence of ATP | 38500250 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38500250 | 10.1021/acs.jmedchem.3c02092 | Dual specificity protein kinase CLK2 | 1 |
| 38500250 | 10.1021/acs.jmedchem.3c02092 | Dual specificity protein kinase CLK3 | 1 |
| 38500250 | 10.1021/acs.jmedchem.3c02092 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
Data from ChEMBL 36 via Core Engine