Compound Detail
CHEMBL3589668
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 | CHEMBL3589668 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRQCWSSAUMCSQV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
331.2
MW (Da)
4.87
ALogP
2
HBA
2
HBD
66.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase CLK1 CHEMBL1075280 | IC50 | 6.03 | 6.03 | 940.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase CLK1 | IC50 | = | 940.0 | nM | 6.03 | Inhibition of mouse recombinant CLK1 expressed in Escherichia coli using RS pept... | 25730262 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS pe... | 25730262 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25730262 | 10.1021/jm501994d | Unchecked | 2 |
| 25730262 | 10.1021/jm501994d | Cyclin-dependent kinase 5 | 1 |
| 25730262 | 10.1021/jm501994d | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 25730262 | 10.1021/jm501994d | Dual specificity protein kinase CLK1 | 1 |
Data from ChEMBL 36 via Core Engine