Compound Detail
CHEMBL487738
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Basic Information
| ChEMBL ID | CHEMBL487738 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSNSGNZRUMHXAY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
284.7
MW (Da)
1.52
ALogP
5
HBA
2
HBD
98.0
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 5.72 | 5.38 | 1900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of CDK2/Cyclin A by radiometric assay | 18656911 |
| Cyclin-dependent kinase 2 | IC50 | = | 9100.0 | nM | 5.04 | Inhibition of CDK2 | 18457385 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18457385 | 10.1021/jm8000373 | Cyclin-dependent kinase 2 | 1 |
| 18656911 | 10.1021/jm800382h | Cyclin-dependent kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine