Compound Detail
CHEMBL1802396
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1802396 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUFPUHQDHNFGBV-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
395.3
MW (Da)
4.65
ALogP
4
HBA
2
HBD
76.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL5508 | IC50 | 6.09 | 6.09 | 810.0 | 1 |
| Dual specificity protein kinase CLK1 CHEMBL4224 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Glycogen synthase kinase-3 CHEMBL2366565 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 810.0 | nM | 6.09 | Inhibition of rat recombinant GST-tagged DYRK1A using myelin protein as substrat... | 21623630 |
| Dual specificity protein kinase CLK1 | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of human recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate | 21623630 |
| Glycogen synthase kinase-3 | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of pig brain GSK-3alpha/beta using YRRAAVPPSPSLSRHSSPHQSpEDEEE as sub... | 21623630 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of human recombinant CDK5/p25 using Histone H1 and [gamma32]-ATP afte... | 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