Compound Detail
CHEMBL4573345
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Basic Information
| ChEMBL ID | CHEMBL4573345 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKTJWTUXBUULTK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
246.3
MW (Da)
2.35
ALogP
6
HBA
1
HBD
68.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E1 | IC50 | = | 170.0 | nM | 6.77 | Inhibition of GST-tagged CDK2/Cyclin E (unknown origin) expressed in baculovirus... | 30543440 |
| Cyclin-dependent kinase 1 | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of CDK1 (unknown origin) | 30543440 |
| Cyclin-dependent kinase 4 | IC50 | = | 23000.0 | nM | 4.64 | Inhibition of CDK4 (unknown origin) | 30543440 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30543440 | 10.1021/acs.jmedchem.8b01469 | Cyclin-dependent kinase 4 | 1 |
| 30543440 | 10.1021/acs.jmedchem.8b01469 | Cyclin-dependent kinase 2/cyclin E1 | 1 |
| 30543440 | 10.1021/acs.jmedchem.8b01469 | Cyclin-dependent kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine