Compound Detail
CHEMBL497564
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Basic Information
| ChEMBL ID | CHEMBL497564 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKEMXASAMBDUOC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
3.58
ALogP
8
HBA
1
HBD
94.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of human CDK2 by HTRF assay | 18835709 |
| Glycogen synthase kinase-3 beta | IC50 | = | 8.0 | nM | 8.1 | Inhibition of GSK3-beta by scintillation proximity assay | 18835709 |
| Cyclin-dependent kinase 4 | IC50 | = | 16.0 | nM | 7.8 | Inhibition of CDK4 by radioactive glutathione plate-binding assay | 18835709 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18835709 | 10.1016/j.bmcl.2008.09.069 | Cyclin-dependent kinase 4 | 1 |
| 18835709 | 10.1016/j.bmcl.2008.09.069 | Glycogen synthase kinase-3 beta | 1 |
| 18835709 | 10.1016/j.bmcl.2008.09.069 | Cyclin-dependent kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine