Compound Detail
CHEMBL1898211
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Basic Information
| ChEMBL ID | CHEMBL1898211 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYPJRFNOUPSZFL-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
15
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 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase CLK4 CHEMBL4203 | IC50 | 6.62 | 6.58 | 241.0 | 2 |
| Dual specificity protein kinase CLK2 CHEMBL4225 | IC50 | 6.62 | 6.62 | 238.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B CHEMBL5543 | IC50 | 6.29 | 6.29 | 514.0 | 1 |
| Dual specificity protein kinase CLK1 CHEMBL4224 | IC50 | 5.75 | 5.75 | 1783.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 5.63 | 5.48 | 2352.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase CLK4 | IC50 | = | 241.0 | nM | 6.62 | Inhibition of CLK4 (unknown origin) | 23642479 |
| Dual specificity protein kinase CLK2 | IC50 | = | 238.0 | nM | 6.62 | Inhibition of CLK2 (unknown origin) | 23642479 |
| Dual specificity protein kinase CLK4 | IC50 | = | 290.0 | nM | 6.54 | Inhibition of CLK4 (unknown origin) by bioluminescence assay | 23642479 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B | IC50 | = | 514.0 | nM | 6.29 | Inhibition of DYRK1B (unknown origin) | 23642479 |
| Dual specificity protein kinase CLK1 | IC50 | = | 1783.0 | nM | 5.75 | Inhibition of CLK1 (unknown origin) | 23642479 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 2352.0 | nM | 5.63 | Inhibition of DYRK1A (unknown origin) | 23642479 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 4630.0 | nM | 5.33 | 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 | 3 |
| 23642479 | 10.1016/j.bmcl.2013.02.096 | Dual specificity protein kinase CLK4 | 3 |
| 23642479 | 10.1016/j.bmcl.2013.02.096 | Dual specificity protein kinase CLK1 | 2 |
| 23642479 | 10.1016/j.bmcl.2013.02.096 | Dual specificity protein kinase CLK2 | 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 | SRSF protein kinase 3 | 1 |
| 23642479 | 10.1016/j.bmcl.2013.02.096 | Serine/threonine-protein kinase RIO3 | 1 |
| 23642479 | 10.1016/j.bmcl.2013.02.096 | Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | 1 |
| 23642479 | 10.1016/j.bmcl.2013.02.096 | Phosphatidylinositol 4-phosphate 5-kinase type-1 alpha | 1 |
| 23642479 | 10.1016/j.bmcl.2013.02.096 | Serine/threonine-protein kinase pim-1 | 1 |
| 23642479 | 10.1016/j.bmcl.2013.02.096 | Serine/threonine-protein kinase LATS1 | 1 |
| 23642479 | 10.1016/j.bmcl.2013.02.096 | Cyclin-G-associated kinase | 1 |
| 23642479 | 10.1016/j.bmcl.2013.02.096 | AP2-associated protein kinase 1 | 1 |
| 23642479 | 10.1016/j.bmcl.2013.02.096 | Unchecked | 1 |
| 23642479 | 10.1016/j.bmcl.2013.02.096 | BMP-2-inducible protein kinase | 1 |
Data from ChEMBL 36 via Core Engine