Compound Detail
CHEMBL490053
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Basic Information
| ChEMBL ID | CHEMBL490053 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXHDANBBZJXJAF-GDNBJRDFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
417.3
MW (Da)
2.91
ALogP
5
HBA
2
HBD
78.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 4.35 | 4.35 | 44400.0 | 1 |
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 44400.0 | nM | 4.35 | Inhibition of CDK2/Cyclin E assessed as inhibition of retinoblastoma susceptibil... | 19317452 |
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of CDK4/Cyclin D1 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