Compound Detail
CHEMBL4453997
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Basic Information
| ChEMBL ID | CHEMBL4453997 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVZCIMNGAOZHSH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
304.3
MW (Da)
3.11
ALogP
4
HBA
1
HBD
72.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.24 | 7.24 | 57.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 | IC50 | = | 0.2 | nM | 9.7 | Inhibition of CDK4 (unknown origin) | 31167153 |
| Cyclin-dependent kinase 2 | IC50 | = | 57.0 | nM | 7.24 | Inhibition of CDK2 (unknown origin) | 31167153 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31167153 | 10.1016/j.ejmech.2019.05.070 | Cyclin-dependent kinase 4 | 1 |
| 31167153 | 10.1016/j.ejmech.2019.05.070 | Cyclin-dependent kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine