Compound Detail
CHEMBL367687
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Basic Information
| ChEMBL ID | CHEMBL367687 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RISJOEPLMQEJDE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
341.2
MW (Da)
3.95
ALogP
3
HBA
2
HBD
65.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 CHEMBL2095188 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 | IC50 | = | 22000.0 | nM | 4.66 | Inhibitory activity against GSK-3-alpha/beta from porcine brain | 14761195 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14761195 | 10.1021/jm031016d | Cyclin-dependent kinase 1/cyclin B | 1 |
| 14761195 | 10.1021/jm031016d | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 14761195 | 10.1021/jm031016d | Glycogen synthase kinase-3 | 1 |
| 21802947 | 10.1016/j.bmcl.2011.07.011 | IMR-32 | 1 |
| 21802947 | 10.1016/j.bmcl.2011.07.011 | SK-N-SH | 1 |
| 21802947 | 10.1016/j.bmcl.2011.07.011 | NON-PROTEIN TARGET | 1 |
| 21802947 | 10.1016/j.bmcl.2011.07.011 | NHDF | 1 |
| 21802947 | 10.1016/j.bmcl.2011.07.011 | HUVEC | 1 |
Data from ChEMBL 36 via Core Engine