Compound Detail
CHEMBL4090007
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Basic Information
| ChEMBL ID | CHEMBL4090007 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CXJCGSPAPOTTSF-SOFGYWHQSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
338.2
MW (Da)
3.48
ALogP
5
HBA
1
HBD
81.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase CLK1 CHEMBL4224 | IC50 | 7.71 | 7.71 | 19.7 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 7.26 | 7.26 | 55.2 | 1 |
| Dual specificity protein kinase CLK3 CHEMBL4226 | IC50 | 6.28 | 6.28 | 530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase CLK1 | IC50 | = | 19.7 | nM | 7.71 | Inhibition of human CLK1 (148 to 484 residues) expressed in Escherichia coli BL2... | 27940419 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 55.2 | nM | 7.26 | Inhibition of human DYRK1A preincubated for 10 mins followed by YRASPSRPESPRPPA-... | 27940419 |
| Dual specificity protein kinase CLK3 | IC50 | = | 530.0 | nM | 6.28 | Inhibition of human CLK3 (275 to 632 residues) expressed in Escherichia coli BL2... | 27940419 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32787076 | 10.1021/acs.jmedchem.0c00898 | Unchecked | 3 |
| 27940419 | 10.1016/j.ejmech.2016.11.003 | Dual specificity protein kinase CLK3 | 1 |
| 27940419 | 10.1016/j.ejmech.2016.11.003 | Dual specificity protein kinase CLK1 | 1 |
| 27940419 | 10.1016/j.ejmech.2016.11.003 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
Data from ChEMBL 36 via Core Engine