Compound Detail
CHEMBL457047
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Basic Information
| ChEMBL ID | CHEMBL457047 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFVBVKHGDDDCEA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
223.2
MW (Da)
1.19
ALogP
3
HBA
2
HBD
80.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 3.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 3.92 | 3.92 | 120000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 120000.0 | nM | 3.92 | Inhibition of CDK2/Cyclin A by radiometric assay | 18656911 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18656911 | 10.1021/jm800382h | Cyclin-dependent kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine