Compound Detail
CHEMBL2321963
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Basic Information
| ChEMBL ID | CHEMBL2321963 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWSYEZKLBNFKSQ-HPBCLWJWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
389.3
MW (Da)
3.37
ALogP
5
HBA
4
HBD
111.0
PSA (Ų)
0.34
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 5 CHEMBL4036 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL5508 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 5 | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of human recombinant CDK5 | 23336033 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of rat recombinant GST-fused DYRK1A expressed in Escherichia coli usi... | 23336033 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27726390 | 10.1021/acs.jnatprod.6b00285 | KCL-22 | 2 |
| 23336033 | 10.1021/ml300207a | Dual specificity tyrosine-phosphorylation-regulated kinase 2 | 1 |
| 23336033 | 10.1021/ml300207a | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 23336033 | 10.1021/ml300207a | Casein kinase I isoform alpha | 1 |
| 23336033 | 10.1021/ml300207a | Glycogen synthase kinase 3 beta | 1 |
| 23336033 | 10.1021/ml300207a | Cyclin-dependent kinase 5 | 1 |
Data from ChEMBL 36 via Core Engine