Compound Detail
CHEMBL301138
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Basic Information
| ChEMBL ID | CHEMBL301138 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCBBKYDLIADLOS-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
3.49
ALogP
4
HBA
1
HBD
64.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 7.46 | 7.46 | 35.0 | 2 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 5.85 | 5.85 | 1410.0 | 1 |
| Protein kinase C gamma type CHEMBL3604 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 35.0 | nM | 7.46 | Inhibition of human GSK3-beta by scintillation counting | 19338355 |
| Glycogen synthase kinase-3 beta | IC50 | = | 35.0 | nM | 7.46 | Inhibition of GSK-3beta (unknown origin) | 35390715 |
| Cyclin-dependent kinase 2 | IC50 | = | 1410.0 | nM | 5.85 | Inhibition of CDK2/Cyclin E | 19338355 |
| Protein kinase C gamma type | IC50 | = | 2600.0 | nM | 5.58 | 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 |
| 19338355 | 10.1021/jm801317h | Glycogen synthase kinase-3 beta | 1 |
| 19338355 | 10.1021/jm801317h | Cyclin-dependent kinase 2 | 1 |
| 19338355 | 10.1021/jm801317h | Unchecked | 1 |
| 35390715 | 10.1016/j.ejmech.2022.114301 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine