Compound Detail
CHEMBL457208
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Basic Information
| ChEMBL ID | CHEMBL457208 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVWXMQOSMQSZLU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
338.3
MW (Da)
2.98
ALogP
3
HBA
3
HBD
86.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| CDK2/Cyclin A2 CHEMBL3038469 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of CDK2/Cyclin A by radiometric assay | 18656911 |
| CDK2/Cyclin A2 | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of C-terminal His6-tagged human full length CDK2/N-terminal GST-tagge... | 30091915 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18656911 | 10.1021/jm800382h | Cyclin-dependent kinase 2 | 1 |
| 18656911 | 10.1021/jm800382h | HCT-116 | 1 |
| 30091915 | 10.1021/acs.jmedchem.8b00669 | CDK2/Cyclin A2 | 1 |
| 30091915 | 10.1021/acs.jmedchem.8b00669 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine