Compound Detail
CHEMBL1802393
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Basic Information
| ChEMBL ID | CHEMBL1802393 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNFFXYYRKZXWTB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
433.2
MW (Da)
5.66
ALogP
3
HBA
2
HBD
67.6
PSA (Ų)
0.43
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 CHEMBL2366565 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of pig brain GSK-3alpha/beta using YRRAAVPPSPSLSRHSSPHQSpEDEEE as sub... | 21623630 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21623630 | 10.1021/jm200464w | PA-1 | 1 |
| 21623630 | 10.1021/jm200464w | MCF7 | 1 |
| 21623630 | 10.1021/jm200464w | IMR-32 | 1 |
| 21623630 | 10.1021/jm200464w | SH-SY5Y | 1 |
| 21623630 | 10.1021/jm200464w | HT-22 | 1 |
| 21623630 | 10.1021/jm200464w | ADMET | 1 |
| 21623630 | 10.1021/jm200464w | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 21623630 | 10.1021/jm200464w | Dual specificity protein kinase CLK1 | 1 |
| 21623630 | 10.1021/jm200464w | Glycogen synthase kinase-3 | 1 |
| 21623630 | 10.1021/jm200464w | Unchecked | 1 |
| 21623630 | 10.1021/jm200464w | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 21623630 | 10.1021/jm200464w | PC-3 | 1 |
| 21623630 | 10.1021/jm200464w | DU-145 | 1 |
Data from ChEMBL 36 via Core Engine