Compound Detail
CHEMBL1899640
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Basic Information
| ChEMBL ID | CHEMBL1899640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZUVHLORMNUQJL-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
325.8
MW (Da)
4.27
ALogP
5
HBA
1
HBD
56.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 6.56 | 6.42 | 273.0 | 2 |
| Dual specificity protein kinase CLK4 CHEMBL4203 | IC50 | 6.43 | 5.845 | 370.0 | 2 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B CHEMBL5543 | IC50 | 6.05 | 6.05 | 884.0 | 1 |
| Dual specificity protein kinase CLK1 CHEMBL4224 | IC50 | 5.9 | 5.9 | 1262.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 273.0 | nM | 6.56 | Inhibition of DYRK1A (unknown origin) | 23642479 |
| Dual specificity protein kinase CLK4 | IC50 | = | 370.0 | nM | 6.43 | Inhibition of CLK4 (unknown origin) by bioluminescence assay | 23642479 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 520.0 | nM | 6.28 | Inhibition of DYRK1A (unknown origin) by bioluminescence assay | 23642479 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B | IC50 | = | 884.0 | nM | 6.05 | Inhibition of DYRK1B (unknown origin) | 23642479 |
| Dual specificity protein kinase CLK1 | IC50 | = | 1262.0 | nM | 5.9 | Inhibition of CLK1 (unknown origin) | 23642479 |
| Dual specificity protein kinase CLK4 | IC50 | = | 5450.0 | nM | 5.26 | Inhibition of CLK4 (unknown origin) | 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 protein kinase CLK2 | 1 |
| 23642479 | 10.1016/j.bmcl.2013.02.096 | Dual specificity protein kinase CLK1 | 1 |
| 23642479 | 10.1016/j.bmcl.2013.02.096 | Dual specificity tyrosine-phosphorylation-regulated kinase 1B | 1 |
Data from ChEMBL 36 via Core Engine