Compound Detail
CHEMBL2392227
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Basic Information
| ChEMBL ID | CHEMBL2392227 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBLFETOXPRBFSY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
359.3
MW (Da)
3.90
ALogP
5
HBA
1
HBD
56.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase CLK4 CHEMBL4203 | IC50 | 5.09 | 5.09 | 8200.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 4.68 | 4.68 | 20700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase CLK4 | IC50 | = | 8200.0 | nM | 5.09 | Inhibition of CLK4 (unknown origin) by bioluminescence assay | 23642479 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 20700.0 | nM | 4.68 | Inhibition of DYRK1A (unknown origin) by bioluminescence assay | 23642479 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23642479 | 10.1016/j.bmcl.2013.02.096 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 23642479 | 10.1016/j.bmcl.2013.02.096 | Dual specificity protein kinase CLK4 | 1 |
Data from ChEMBL 36 via Core Engine