Compound Detail
CHEMBL1081617
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Basic Information
| ChEMBL ID | CHEMBL1081617 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKGYFGPTGCPJOY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
366.8
MW (Da)
3.41
ALogP
4
HBA
1
HBD
60.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 8.19 | 8.19 | 6.4 | 1 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 6.4 | nM | 8.19 | Inhibition of human recombinant GSK3-beta assessed as [gamma33]ATP transfer to b... | 20138512 |
| Protein kinase C alpha type | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of PKCalpha | 20138512 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20138512 | 10.1016/j.bmcl.2010.01.038 | Protein kinase C alpha type | 1 |
| 20138512 | 10.1016/j.bmcl.2010.01.038 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine