Compound Detail
CHEMBL411696
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Basic Information
| ChEMBL ID | CHEMBL411696 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHBYLJJSRMJTRE-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
1.50
ALogP
6
HBA
3
HBD
122.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.03 | 7.03 | 93.0 | 3 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 6.26 | 6.26 | 550.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 93.0 | nM | 7.03 | Evaluated for inhibition of human cyclin dependent kinase 2 | 15115396 |
| Cyclin-dependent kinase 2 | IC50 | = | 93.0 | nM | 7.03 | Inhibitory activity against human cyclin-dependent kinase 2 (CDK2) | 11728181 |
| Cyclin-dependent kinase 2 | IC50 | = | 93.0 | nM | 7.03 | Inhibition of CDK2 | 18271520 |
| Cyclin-dependent kinase 1 | IC50 | = | 550.0 | nM | 6.26 | Inhibitory activity against human cyclin-dependent kinase 1 (CDK1) | 11728181 |
| Cyclin-dependent kinase 1 | IC50 | = | 550.0 | nM | 6.26 | Inhibition of CDK1 | 18271520 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15115396 | 10.1021/jm0304358 | Cyclin-dependent kinase 2 | 1 |
| 11728181 | 10.1021/jm010117d | Cyclin-dependent kinase 1 | 1 |
| 11728181 | 10.1021/jm010117d | Cyclin-dependent kinase 2 | 1 |
| 18271520 | 10.1021/jm070654j | Cyclin-dependent kinase 2 | 1 |
| 18271520 | 10.1021/jm070654j | Cyclin-dependent kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine