Compound Detail
CHEMBL1882945
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Basic Information
| ChEMBL ID | CHEMBL1882945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHNXNPZJZWLACS-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
339.8
MW (Da)
4.14
ALogP
5
HBA
1
HBD
56.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase CLK1 CHEMBL4224 | IC50 | 5.62 | 5.62 | 2370.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 5.34 | 4.96 | 4579.0 | 2 |
| Dual specificity protein kinase CLK4 CHEMBL4203 | IC50 | 5.24 | 5.135 | 5820.0 | 2 |
| Dual specificity protein kinase CLK2 CHEMBL4225 | IC50 | 5.06 | 5.06 | 8791.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B CHEMBL5543 | IC50 | 5.05 | 5.05 | 8862.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase CLK1 | IC50 | = | 2370.0 | nM | 5.62 | Inhibition of CLK1 (unknown origin) | 23642479 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 4579.0 | nM | 5.34 | Inhibition of DYRK1A (unknown origin) | 23642479 |
| Dual specificity protein kinase CLK4 | IC50 | = | 5820.0 | nM | 5.24 | Inhibition of CLK4 (unknown origin) by bioluminescence assay | 23642479 |
| Dual specificity protein kinase CLK2 | IC50 | = | 8791.0 | nM | 5.06 | Inhibition of CLK2 (unknown origin) | 23642479 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B | IC50 | = | 8862.0 | nM | 5.05 | Inhibition of DYRK1B (unknown origin) | 23642479 |
| Dual specificity protein kinase CLK4 | IC50 | = | 9284.0 | nM | 5.03 | Inhibition of CLK4 (unknown origin) | 23642479 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 26020.0 | nM | 4.58 | 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 | 2 |
| 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 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