Compound Detail
CHEMBL1803080
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Basic Information
| ChEMBL ID | CHEMBL1803080 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKVROFXUORCBNY-LCYFTJDESA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
2.36
ALogP
5
HBA
1
HBD
63.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 2 CHEMBL4376 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Dual specificity protein kinase CLK4 CHEMBL1075283 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| Dual specificity protein kinase CLK1 CHEMBL1075280 | IC50 | 5.52 | 5.52 | 3000.0 | 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 | = | 2100.0 | nM | 5.68 | Inhibition of human recombinant GST-tagged DYRK2 using KKISGRLSPIMTEQ as substra... | 21615147 |
| Dual specificity protein kinase CLK4 | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of GST-fused mouse recombinant CLK4 expressed in Escherichia coli usi... | 34928152 |
| Dual specificity protein kinase CLK1 | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of GST-fused mouse recombinant CLK1 expressed in Escherichia coli usi... | 34928152 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34928152 | 10.1021/acs.jmedchem.1c01141 | Unchecked | 2 |
| 34928152 | 10.1021/acs.jmedchem.1c01141 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 2 |
| 34928152 | 10.1021/acs.jmedchem.1c01141 | Dual specificity protein kinase CLK3 | 1 |
| 34928152 | 10.1021/acs.jmedchem.1c01141 | HT-22 | 1 |
| 34928152 | 10.1021/acs.jmedchem.1c01141 | Casein kinase 2 | 1 |
| 34928152 | 10.1021/acs.jmedchem.1c01141 | Serine/threonine-protein kinase pim-1 | 1 |
| 34928152 | 10.1021/acs.jmedchem.1c01141 | Dual specificity tyrosine-phosphorylation-regulated kinase 3 | 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 1B | 1 |
| 34928152 | 10.1021/acs.jmedchem.1c01141 | Dual specificity protein kinase CLK2 | 1 |
| 34928152 | 10.1021/acs.jmedchem.1c01141 | Dual specificity protein kinase CLK1 | 1 |
| 21615147 | 10.1021/jm200274d | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 34928152 | 10.1021/acs.jmedchem.1c01141 | Dual specificity protein kinase CLK4 | 1 |
| 34928152 | 10.1021/acs.jmedchem.1c01141 | Glycogen synthase kinase-3 | 1 |
| 21615147 | 10.1021/jm200274d | Unchecked | 1 |
| 21615147 | 10.1021/jm200274d | Glycogen synthase kinase-3 | 1 |
| 21615147 | 10.1021/jm200274d | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 21615147 | 10.1021/jm200274d | Dual specificity protein kinase CLK3 | 1 |
| 21615147 | 10.1021/jm200274d | Dual specificity protein kinase CLK1 | 1 |
| 21615147 | 10.1021/jm200274d | Serine/threonine-protein kinase pim-1 | 1 |
Data from ChEMBL 36 via Core Engine