Compound Detail
CHEMBL2321965
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Basic Information
| ChEMBL ID | CHEMBL2321965 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNKDWVYACUXTCR-OEOFUSTESA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
399.2
MW (Da)
3.22
ALogP
6
HBA
4
HBD
106.3
PSA (Ų)
0.26
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase 3 beta CHEMBL1909485 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| Cyclin-dependent kinase 5 CHEMBL4036 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL5508 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Casein kinase I isoform alpha CHEMBL1781858 | IC50 | 5.13 | 5.13 | 7400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase 3 beta | IC50 | = | 600.0 | nM | 6.22 | Inhibition of porcine brain GSK3beta using YRRAAVPPSPSLSRHSSPHQSpEDEEE as substr... | 23336033 |
| Cyclin-dependent kinase 5 | IC50 | = | 600.0 | nM | 6.22 | Inhibition of human recombinant CDK5 | 23336033 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of rat recombinant GST-fused DYRK1A expressed in Escherichia coli usi... | 23336033 |
| Casein kinase I isoform alpha | IC50 | = | 7400.0 | nM | 5.13 | Inhibition of porcine brain CK1 using RRKHAAIGpSAYSITA as substrate | 23336033 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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