Compound Detail
CHEMBL276336
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Basic Information
| ChEMBL ID | CHEMBL276336 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FACHZFAWMXYQIT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
4.03
ALogP
4
HBA
1
HBD
58.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E CHEMBL2094126 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E | IC50 | = | 4400.0 | nM | 5.36 | In vitro inhibition of human CDK2/cyclin E. | 12643928 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12643928 | 10.1016/s0960-894x(03)00034-9 | Cyclin-dependent kinase 2/cyclin E | 1 |
Data from ChEMBL 36 via Core Engine