Compound Detail
CHEMBL2392367
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Basic Information
| ChEMBL ID | CHEMBL2392367 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKKAPUBGRWMMGK-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
370.2
MW (Da)
4.94
ALogP
4
HBA
2
HBD
66.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase CLK4 CHEMBL4203 | IC50 | 6.91 | 6.075 | 123.0 | 2 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 6.77 | 6.28 | 169.0 | 2 |
| Dual specificity protein kinase CLK1 CHEMBL4224 | IC50 | 6.74 | 6.74 | 183.0 | 1 |
| Dual specificity protein kinase CLK2 CHEMBL4225 | IC50 | 6.37 | 6.37 | 429.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B CHEMBL5543 | IC50 | 6.22 | 6.22 | 599.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase CLK4 | IC50 | = | 123.0 | nM | 6.91 | Inhibition of CLK4 (unknown origin) | 23642479 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 169.0 | nM | 6.77 | Inhibition of DYRK1A (unknown origin) | 23642479 |
| Dual specificity protein kinase CLK1 | IC50 | = | 183.0 | nM | 6.74 | Inhibition of CLK1 (unknown origin) | 23642479 |
| Dual specificity protein kinase CLK2 | IC50 | = | 429.0 | nM | 6.37 | Inhibition of CLK2 (unknown origin) | 23642479 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B | IC50 | = | 599.0 | nM | 6.22 | Inhibition of DYRK1B (unknown origin) | 23642479 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 1640.0 | nM | 5.79 | Inhibition of DYRK1A (unknown origin) by bioluminescence assay | 23642479 |
| Dual specificity protein kinase CLK4 | IC50 | = | 5820.0 | nM | 5.24 | Inhibition of CLK4 (unknown origin) by bioluminescence assay | 23642479 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23642479 | 10.1016/j.bmcl.2013.02.096 | Dual specificity protein kinase CLK4 | 2 |
| 23642479 | 10.1016/j.bmcl.2013.02.096 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 2 |
| 23642479 | 10.1016/j.bmcl.2013.02.096 | Dual specificity tyrosine-phosphorylation-regulated kinase 1B | 1 |
| 23642479 | 10.1016/j.bmcl.2013.02.096 | Dual specificity protein kinase CLK2 | 1 |
| 23642479 | 10.1016/j.bmcl.2013.02.096 | Dual specificity protein kinase CLK1 | 1 |
Data from ChEMBL 36 via Core Engine