Compound Detail
CHEMBL500804
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Basic Information
| ChEMBL ID | CHEMBL500804 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYUUEMRVNZONDM-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
189.2
MW (Da)
0.50
ALogP
3
HBA
2
HBD
53.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.82 | 7.82 | 15.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of CDK2 | 17707953 |
| Unchecked | IC50 | = | 15.0 | nM | 7.82 | Inhibition of GSK3 | 17707953 |
| Unchecked | IC50 | = | 15.14 | nM | 7.82 | Inhibition of GSK3 | 17707953 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17707953 | 10.1016/j.ejmech.2007.06.016 | Unchecked | 2 |
| 17707953 | 10.1016/j.ejmech.2007.06.016 | Cyclin-dependent kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine