Compound Detail
CHEMBL142789
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Basic Information
| ChEMBL ID | CHEMBL142789 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GEPGTRXJMIXSCB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
396.2
MW (Da)
3.43
ALogP
5
HBA
1
HBD
59.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of Cyclin-dependent kinase 4 (CDK4/cyclin Dl) | 10743948 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10743948 | 10.1016/s0960-894x(00)00014-7 | Cyclin-dependent kinase 4 | 1 |
| 10743948 | 10.1016/s0960-894x(00)00014-7 | Cyclin-dependent kinase 2 | 1 |
| 10743948 | 10.1016/s0960-894x(00)00014-7 | A549 | 1 |
| 10743948 | 10.1016/s0960-894x(00)00014-7 | COLO1 | 1 |
| 10743948 | 10.1016/s0960-894x(00)00014-7 | HL-60 | 1 |
| 10743948 | 10.1016/s0960-894x(00)00014-7 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine