Compound Detail
CHEMBL1868723
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Basic Information
| ChEMBL ID | CHEMBL1868723 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNLSVEADBVICIJ-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
359.3
MW (Da)
4.63
ALogP
5
HBA
1
HBD
56.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 8.0 | 7.58 | 10.0 | 2 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B CHEMBL5543 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| Dual specificity protein kinase CLK1 CHEMBL4224 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
| Dual specificity protein kinase CLK4 CHEMBL4203 | IC50 | 7.38 | 7.27 | 42.0 | 2 |
| Dual specificity protein kinase CLK2 CHEMBL4225 | IC50 | 7.28 | 7.28 | 52.0 | 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 | = | 10.0 | nM | 8.0 | Inhibition of DYRK1A (unknown origin) | 23642479 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B | IC50 | = | 18.0 | nM | 7.75 | Inhibition of DYRK1B (unknown origin) | 23642479 |
| Dual specificity protein kinase CLK1 | IC50 | = | 34.0 | nM | 7.47 | Inhibition of CLK1 (unknown origin) | 23642479 |
| Dual specificity protein kinase CLK4 | IC50 | = | 42.0 | nM | 7.38 | Inhibition of CLK4 (unknown origin) | 23642479 |
| Dual specificity protein kinase CLK2 | IC50 | = | 52.0 | nM | 7.28 | Inhibition of CLK2 (unknown origin) | 23642479 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 70.0 | nM | 7.16 | Inhibition of DYRK1A (unknown origin) by bioluminescence assay | 23642479 |
| Dual specificity protein kinase CLK4 | IC50 | = | 70.0 | nM | 7.16 | 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 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 protein kinase CLK3 | 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 |
| 23642479 | 10.1016/j.bmcl.2013.02.096 | Dual specificity tyrosine-phosphorylation-regulated kinase 1B | 1 |
Data from ChEMBL 36 via Core Engine