Compound Detail
CHEMBL130395
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Basic Information
| ChEMBL ID | CHEMBL130395 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BAKDMSIYUPKGBK-RELWKKBWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
382.4
MW (Da)
2.56
ALogP
7
HBA
4
HBD
109.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 1/cyclin B1 CHEMBL1907602 | IC50 | 4.79 | 4.79 | 16300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 1/cyclin B1 | IC50 | = | 16300.0 | nM | 4.79 | Inhibition of Cyclin-dependent kinase 1-cyclin B1 | 11063609 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11063609 | 10.1021/jm000231g | Cyclin-dependent kinase 1/cyclin B1 | 1 |
| 11063609 | 10.1021/jm000231g | Cyclin-dependent kinase 2/cyclin E | 1 |
| 11063609 | 10.1021/jm000231g | Cyclin-dependent kinase 4/cyclin D1 | 1 |
Data from ChEMBL 36 via Core Engine