Compound Detail
CHEMBL50226
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Basic Information
| ChEMBL ID | CHEMBL50226 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMIMDIGPBYDVRA-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
210.2
MW (Da)
2.21
ALogP
3
HBA
2
HBD
67.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 3.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 3.38 | 3.38 | 420000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 420000.0 | nM | 3.38 | Inhibition of human GSK3-beta | 18929433 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15026054 | 10.1016/j.bmcl.2004.01.050 | Cyclin-dependent kinase 1/cyclin B | 1 |
| 15026054 | 10.1016/j.bmcl.2004.01.050 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 15026054 | 10.1016/j.bmcl.2004.01.050 | cAMP-dependent protein kinase (PKA) | 1 |
| 15026054 | 10.1016/j.bmcl.2004.01.050 | Unchecked | 1 |
| 15026054 | 10.1016/j.bmcl.2004.01.050 | Glycogen synthase kinase-3 beta | 1 |
| 15026054 | 10.1016/j.bmcl.2004.01.050 | Casein kinase I | 1 |
| 18929433 | 10.1016/j.ejmech.2008.08.012 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine