Compound Detail
CHEMBL3753782
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Basic Information
| ChEMBL ID | CHEMBL3753782 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEKNWHPJYYLTRW-MDWZMJQESA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
275.3
MW (Da)
3.64
ALogP
3
HBA
1
HBD
61.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase CLK1 CHEMBL4224 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Kinesin-like protein KIF20A CHEMBL2021753 | IC50 | 5.48 | 5.43 | 3300.0 | 2 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase CLK1 | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of GST-tagged human recombinant CLK1 expressed in Escherichia coli us... | 27676471 |
| Kinesin-like protein KIF20A | IC50 | = | 3300.0 | nM | 5.48 | Inhibition of microtubule-stimulated N-terminal MKLP-2 (56 to 505 residues) ATPa... | 26778612 |
| Kinesin-like protein KIF20A | IC50 | = | 4200.0 | nM | 5.38 | Inhibition of N-terminal MKLP2 (56 to 505 residues) ATPase basal activity isolat... | 26778612 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli ... | 27676471 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26778612 | 10.1016/j.bmc.2015.12.042 | Kinesin-like protein KIF20A | 4 |
| 26778612 | 10.1016/j.bmc.2015.12.042 | Unchecked | 2 |
| 26778612 | 10.1016/j.bmc.2015.12.042 | KB | 2 |
| 26778612 | 10.1016/j.bmc.2015.12.042 | Centromere-associated protein E | 1 |
| 26778612 | 10.1016/j.bmc.2015.12.042 | Chromosome-associated kinesin KIF4A | 1 |
| 26778612 | 10.1016/j.bmc.2015.12.042 | Kinesin-like protein KIF11 | 1 |
| 26778612 | 10.1016/j.bmc.2015.12.042 | Kinesin-like protein KIFC3 | 1 |
| 26778612 | 10.1016/j.bmc.2015.12.042 | Kinesin-like protein KIF3C | 1 |
| 26778612 | 10.1016/j.bmc.2015.12.042 | Kinesin-like protein KIF23 | 1 |
| 26778612 | 10.1016/j.bmc.2015.12.042 | Kinesin-1 heavy chain | 1 |
| 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