Compound Detail
CHEMBL1081616
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 | CHEMBL1081616 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARSCWVMYFYXWGC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
2.89
ALogP
4
HBA
1
HBD
60.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 31.0 | nM | 7.51 | Inhibition of human recombinant GSK3-beta assessed as [gamma33]ATP transfer to b... | 20138512 |
| Protein kinase C alpha type | IC50 | = | 4200.0 | nM | 5.38 | 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