Compound Detail
CHEMBL3823532
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Basic Information
| ChEMBL ID | CHEMBL3823532 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHUAZSANAXCOGS-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
241.2
MW (Da)
1.67
ALogP
6
HBA
1
HBD
107.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase CLK1 CHEMBL4224 | IC50 | 7.16 | 7.16 | 69.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL5508 | IC50 | 6.21 | 6.21 | 620.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.11 | 6.11 | 780.0 | 1 |
| Glycogen synthase kinase-3 CHEMBL2366565 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase CLK1 | IC50 | = | 69.0 | nM | 7.16 | Inhibition of GST-tagged human recombinant CLK1 expressed in Escherichia coli us... | 27128181 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 620.0 | nM | 6.21 | Inhibition of GST-tagged rat recombinant DYRK1A expressed in Escherichia coli us... | 27128181 |
| Unchecked | IC50 | = | 780.0 | nM | 6.11 | Inhibition of porcine brain CK1 delta/epsilon using CK-S as substrate incubated ... | 27128181 |
| Glycogen synthase kinase-3 | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of porcine brain GSK3alpha/beta using GS-1 as substrate incubated for... | 27128181 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30967303 | 10.1016/j.bmc.2019.04.005 | Dual specificity protein kinase CLK1 | 2 |
| 30967303 | 10.1016/j.bmc.2019.04.005 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 2 |
| 30967303 | 10.1016/j.bmc.2019.04.005 | Cyclin-dependent kinase 5/CDK5 activator 1 | 2 |
| 30967303 | 10.1016/j.bmc.2019.04.005 | Glycogen synthase kinase-3 | 2 |
| 30967303 | 10.1016/j.bmc.2019.04.005 | Unchecked | 2 |
| 27128181 | 10.1016/j.ejmech.2016.04.004 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 27128181 | 10.1016/j.ejmech.2016.04.004 | Glycogen synthase kinase-3 | 1 |
| 27128181 | 10.1016/j.ejmech.2016.04.004 | Unchecked | 1 |
| 27128181 | 10.1016/j.ejmech.2016.04.004 | Dual specificity protein kinase CLK1 | 1 |
| 27128181 | 10.1016/j.ejmech.2016.04.004 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 27469128 | 10.1016/j.bmcl.2016.07.032 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 27469128 | 10.1016/j.bmcl.2016.07.032 | Dual specificity protein kinase CLK1 | 1 |
| 27469128 | 10.1016/j.bmcl.2016.07.032 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 27469128 | 10.1016/j.bmcl.2016.07.032 | Unchecked | 1 |
| 27469128 | 10.1016/j.bmcl.2016.07.032 | Glycogen synthase kinase-3 | 1 |
Data from ChEMBL 36 via Core Engine