Compound Detail
CHEMBL3884861
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Basic Information
| ChEMBL ID | CHEMBL3884861 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWBWBNKXYNJCMP-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
291.3
MW (Da)
2.98
ALogP
3
HBA
2
HBD
81.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase CLK1 CHEMBL4224 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
| Glycogen synthase kinase-3 CHEMBL2366565 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase CLK1 | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of GST-tagged human recombinant CLK1 expressed in Escherichia coli us... | 27676471 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli ... | 27676471 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 4500.0 | nM | 5.35 | Inhibition of human recombinant CDK5/p25 using histone H1 as substrate after 30 ... | 27676471 |
| Glycogen synthase kinase-3 | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of porcine brain GSK3alpha/beta using GS-1 as substrate incubated for... | 27676471 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27676471 | 10.1016/j.ejmech.2016.08.069 | Unchecked | 1 |
| 27676471 | 10.1016/j.ejmech.2016.08.069 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 27676471 | 10.1016/j.ejmech.2016.08.069 | Glycogen synthase kinase-3 | 1 |
| 27676471 | 10.1016/j.ejmech.2016.08.069 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 27676471 | 10.1016/j.ejmech.2016.08.069 | Dual specificity protein kinase CLK1 | 1 |
Data from ChEMBL 36 via Core Engine