Compound Detail
CHEMBL4096379
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Basic Information
| ChEMBL ID | CHEMBL4096379 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBZWDKFEGYDKIU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
369.4
MW (Da)
4.54
ALogP
5
HBA
0
HBD
56.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase CLK1 CHEMBL4224 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 6.97 | 6.97 | 107.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase CLK1 | IC50 | = | 7.0 | nM | 8.15 | Inhibition of recombinant human CLK1 expressed in insect cells using ERMRPRKRQGS... | 28692292 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 107.0 | nM | 6.97 | Inhibition of recombinant human DYRK1A expressed in insect cells using RRRFRPASP... | 28692292 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28692292 | 10.1021/acs.jmedchem.7b00665 | Unchecked | 1 |
| 28692292 | 10.1021/acs.jmedchem.7b00665 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 28692292 | 10.1021/acs.jmedchem.7b00665 | Dual specificity protein kinase CLK1 | 1 |
Data from ChEMBL 36 via Core Engine