Compound Detail
CHEMBL5188100
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Basic Information
| ChEMBL ID | CHEMBL5188100 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEKHAAGMBNNNBX-WJDWOHSUSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
321.3
MW (Da)
2.74
ALogP
5
HBA
2
HBD
72.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 2 CHEMBL4376 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Dual specificity protein kinase CLK4 CHEMBL1075283 | IC50 | 5.23 | 5.23 | 5900.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 5.07 | 5.07 | 8500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 2 | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of GST-fused human recombinant DYRK2 expressed in Escherichia coli us... | 34928152 |
| Dual specificity protein kinase CLK4 | IC50 | = | 5900.0 | nM | 5.23 | Inhibition of GST-fused mouse recombinant CLK4 expressed in Escherichia coli usi... | 34928152 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 8500.0 | nM | 5.07 | Inhibition of GST-fused human recombinant DYRK1A expressed in Escherichia coli u... | 34928152 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34928152 | 10.1021/acs.jmedchem.1c01141 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 2 |
| 34928152 | 10.1021/acs.jmedchem.1c01141 | Unchecked | 2 |
| 34928152 | 10.1021/acs.jmedchem.1c01141 | Dual specificity protein kinase CLK4 | 1 |
| 34928152 | 10.1021/acs.jmedchem.1c01141 | Dual specificity protein kinase CLK3 | 1 |
| 34928152 | 10.1021/acs.jmedchem.1c01141 | Dual specificity protein kinase CLK1 | 1 |
| 34928152 | 10.1021/acs.jmedchem.1c01141 | Dual specificity protein kinase CLK2 | 1 |
| 34928152 | 10.1021/acs.jmedchem.1c01141 | Dual specificity tyrosine-phosphorylation-regulated kinase 1B | 1 |
| 34928152 | 10.1021/acs.jmedchem.1c01141 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 | 1 |
| 34928152 | 10.1021/acs.jmedchem.1c01141 | Dual specificity tyrosine-phosphorylation-regulated kinase 3 | 1 |
| 34928152 | 10.1021/acs.jmedchem.1c01141 | Glycogen synthase kinase-3 | 1 |
| 34928152 | 10.1021/acs.jmedchem.1c01141 | Serine/threonine-protein kinase pim-1 | 1 |
| 34928152 | 10.1021/acs.jmedchem.1c01141 | Casein kinase 2 | 1 |
| 34928152 | 10.1021/acs.jmedchem.1c01141 | ADMET | 1 |
| 34928152 | 10.1021/acs.jmedchem.1c01141 | Cannabinoid receptor 1 | 1 |
| 34928152 | 10.1021/acs.jmedchem.1c01141 | HT-22 | 1 |
Data from ChEMBL 36 via Core Engine