Compound Detail
CHEMBL1802842
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Basic Information
| ChEMBL ID | CHEMBL1802842 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQZNCAIFCVGTSZ-POHAHGRESA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
273.3
MW (Da)
1.19
ALogP
5
HBA
1
HBD
63.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase CLK1 CHEMBL1075280 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL5508 | IC50 | 6.24 | 6.24 | 580.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 2 CHEMBL4376 | IC50 | 6.19 | 6.19 | 640.0 | 1 |
| Dual specificity protein kinase CLK3 CHEMBL1075282 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 5.14 | 5.14 | 7200.0 | 1 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase CLK1 | IC50 | = | 170.0 | nM | 6.77 | Inhibition of mouse recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate | 21615147 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 580.0 | nM | 6.24 | Inhibition of rat recombinant GST-tagged DYRK1A using KKISGRLSPIMTEQ as substrat... | 21615147 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 2 | IC50 | = | 640.0 | nM | 6.19 | Inhibition of human recombinant GST-tagged DYRK2 using KKISGRLSPIMTEQ as substra... | 21615147 |
| Dual specificity protein kinase CLK3 | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of mouse recombinant GST-tagged CLK3 using GRSRSRSRSRSR as substrate | 21615147 |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 7200.0 | nM | 5.14 | Inhibition of human recombinant Pim1 | 21615147 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of human recombinant CDK5/p25 | 21615147 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
| 21615147 | 10.1021/jm200274d | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
Data from ChEMBL 36 via Core Engine