Compound Detail
CHEMBL3092864
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Basic Information
| ChEMBL ID | CHEMBL3092864 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQNULDWOIXHYFM-SILNSSARSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
410.5
MW (Da)
2.00
ALogP
7
HBA
3
HBD
107.2
PSA (Ų)
0.39
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 5.07 | 5.07 | 8500.0 | 1 |
| Glycogen synthase kinase-3 CHEMBL2366565 | IC50 | 4.4 | 4.4 | 40000.0 | 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 | = | 8500.0 | nM | 5.07 | Inhibition of human recombinant DYRK1A expressed in Escherichia coli using GRSRS... | 23454515 |
| Glycogen synthase kinase-3 | IC50 | = | 40000.0 | nM | 4.4 | Inhibition of porcine brain GSK-3alpha/beta using YRRAAVPPSPSLSRHSSPHQSpEDEEE as... | 23454515 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23454515 | 10.1016/j.ejmech.2013.01.035 | Unchecked | 3 |
| 23454515 | 10.1016/j.ejmech.2013.01.035 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 2 |
| 23454515 | 10.1016/j.ejmech.2013.01.035 | Glycogen synthase kinase-3 | 1 |
| 23454515 | 10.1016/j.ejmech.2013.01.035 | Dual specificity tyrosine-phosphorylation-regulated kinase 3 | 1 |
| 23454515 | 10.1016/j.ejmech.2013.01.035 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 | 1 |
| 23454515 | 10.1016/j.ejmech.2013.01.035 | Dual specificity tyrosine-phosphorylation-regulated kinase 1B | 1 |
| 23454515 | 10.1016/j.ejmech.2013.01.035 | Dual specificity protein kinase CLK4 | 1 |
| 23454515 | 10.1016/j.ejmech.2013.01.035 | Dual specificity protein kinase CLK3 | 1 |
| 23454515 | 10.1016/j.ejmech.2013.01.035 | Dual specificity protein kinase CLK2 | 1 |
| 23454515 | 10.1016/j.ejmech.2013.01.035 | Dual specificity protein kinase CLK1 | 1 |
| 23454515 | 10.1016/j.ejmech.2013.01.035 | CDK9/cyclin T1 | 1 |
| 23454515 | 10.1016/j.ejmech.2013.01.035 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 23454515 | 10.1016/j.ejmech.2013.01.035 | CDK2/Cyclin A2 | 1 |
Data from ChEMBL 36 via Core Engine