Compound Detail
CHEMBL1802855
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Basic Information
| ChEMBL ID | CHEMBL1802855 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWMJILWGGGHVMC-UVTDQMKNSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
0.51
ALogP
7
HBA
1
HBD
75.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase CLK1 CHEMBL1075280 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL5508 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 2 CHEMBL4376 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 5.21 | 5.21 | 6200.0 | 1 |
| Dual specificity protein kinase CLK3 CHEMBL1075282 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase CLK1 | IC50 | = | 80.0 | nM | 7.1 | Inhibition of mouse recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate | 21615147 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of rat recombinant GST-tagged DYRK1A using KKISGRLSPIMTEQ as substrat... | 21615147 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 2 | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of human recombinant GST-tagged DYRK2 using KKISGRLSPIMTEQ as substra... | 21615147 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of human recombinant CDK5/p25 | 21615147 |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 6200.0 | nM | 5.21 | Inhibition of human recombinant Pim1 | 21615147 |
| Dual specificity protein kinase CLK3 | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of mouse recombinant GST-tagged CLK3 using GRSRSRSRSRSR as substrate | 21615147 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21615147 | 10.1021/jm200274d | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 21615147 | 10.1021/jm200274d | Serine/threonine-protein kinase pim-1 | 1 |
| 21615147 | 10.1021/jm200274d | Glycogen synthase kinase-3 | 1 |
| 21615147 | 10.1021/jm200274d | Unchecked | 1 |
| 21615147 | 10.1021/jm200274d | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 21615147 | 10.1021/jm200274d | Dual specificity tyrosine-phosphorylation-regulated kinase 2 | 1 |
| 21615147 | 10.1021/jm200274d | Dual specificity protein kinase CLK1 | 1 |
| 21615147 | 10.1021/jm200274d | Dual specificity protein kinase CLK3 | 1 |
Data from ChEMBL 36 via Core Engine