Compound Detail
CHEMBL489246
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Basic Information
| ChEMBL ID | CHEMBL489246 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTFWCZZUBLMCLR-GDNBJRDFSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
1.81
ALogP
6
HBA
3
HBD
96.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
| Cyclin-dependent kinase 1/cyclin B1 CHEMBL1907602 | IC50 | 4.65 | 4.65 | 22300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 31.0 | nM | 7.51 | Inhibition of CDK4/Cyclin D1 assessed as inhibition of retinoblastoma susceptibi... | 19317452 |
| Cyclin-dependent kinase 2 | IC50 | = | 2900.0 | nM | 5.54 | Inhibition of CDK2/Cyclin E assessed as inhibition of retinoblastoma susceptibil... | 19317452 |
| Cyclin-dependent kinase 1/cyclin B1 | IC50 | = | 22300.0 | nM | 4.65 | Inhibition of CDK1/Cyclin B1 assessed as inhibition of retinoblastoma susceptibi... | 19317452 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19317452 | 10.1021/jm801026e | Cyclin-dependent kinase 2 | 1 |
| 19317452 | 10.1021/jm801026e | Cyclin-dependent kinase 1/cyclin B1 | 1 |
| 19317452 | 10.1021/jm801026e | Cyclin-dependent kinase 4/cyclin D1 | 1 |
Data from ChEMBL 36 via Core Engine