Compound Detail
CHEMBL284899
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Basic Information
| ChEMBL ID | CHEMBL284899 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDLZMHXWJCQGTA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
3.66
ALogP
6
HBA
2
HBD
75.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 5 CHEMBL4036 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Cyclin-dependent kinase 1/cyclin B CHEMBL2094127 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 5 | IC50 | = | 300.0 | nM | 6.52 | Inhibitory activity against Cyclin-dependent kinase 5 | 11063606 |
| Cyclin-dependent kinase 1 | IC50 | = | 400.0 | nM | 6.4 | Inhibition of Cyclin-dependent kinase 1 (CDK1) | 11063606 |
| Cyclin-dependent kinase 1/cyclin B | IC50 | = | 400.0 | nM | 6.4 | In vitro inhibitory activity against Cyclin-dependent kinase 1-cyclin B complex ... | 10753466 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11063606 | 10.1021/jm000965t | Cyclin-dependent kinase 1 | 1 |
| 11063606 | 10.1021/jm000965t | Cyclin-dependent kinase 5 | 1 |
| 10753466 | 10.1021/jm9911130 | Cyclin-dependent kinase 1/cyclin B | 1 |
Data from ChEMBL 36 via Core Engine