Compound Detail
CHEMBL431933
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Basic Information
| ChEMBL ID | CHEMBL431933 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMZWEMXAKFVJGS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
336.8
MW (Da)
3.40
ALogP
3
HBA
1
HBD
51.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 8.44 | 8.44 | 3.6 | 1 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 6.12 | 6.12 | 760.0 | 1 |
| Protein kinase C gamma type CHEMBL3604 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 3.6 | nM | 8.44 | Inhibition of human recombinant GSK3-beta assessed as [gamma33]ATP transfer to b... | 20138512 |
| Protein kinase C alpha type | IC50 | = | 760.0 | nM | 6.12 | Inhibition of PKCalpha | 20138512 |
| Protein kinase C gamma type | IC50 | = | 900.0 | nM | 6.05 | Inhibition of rat brain protein kinase C (PKC) with ATP and histone as substrate... | 1732526 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1732526 | 10.1021/jm00079a024 | Protein kinase C gamma type | 1 |
| 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