Compound Detail
CHEMBL1082151
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Basic Information
| ChEMBL ID | CHEMBL1082151 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHIYRFJMMCWKIZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
375.4
MW (Da)
2.54
ALogP
5
HBA
3
HBD
83.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 6.13 | 6.13 | 740.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 1.0 | nM | 9.0 | Inhibition of human recombinant GSK3-beta assessed as [gamma33]ATP transfer to b... | 20138512 |
| Protein kinase C alpha type | IC50 | = | 740.0 | nM | 6.13 | 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