Compound Detail
CHEMBL101557
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Basic Information
| ChEMBL ID | CHEMBL101557 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSCWQKTUILTARV-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
465.4
MW (Da)
4.42
ALogP
7
HBA
3
HBD
82.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 5.22 | 5.22 | 6000.0 | 2 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 4.46 | 4.46 | 35000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 | IC50 | = | 6000.0 | nM | 5.22 | Inhibitory concentration against cyclin-dependent kinase 4 | 12941312 |
| Cyclin-dependent kinase 4 | IC50 | = | 6000.0 | nM | 5.22 | In vitro inhibition of Cyclin-dependent kinase 4 was determined. | 12941311 |
| Cyclin-dependent kinase 2 | IC50 | = | 35000.0 | nM | 4.46 | Inhibitory concentration against cyclin-dependent kinase 2 | 12941312 |
| Cyclin-dependent kinase 2 | IC50 | = | 35000.0 | nM | 4.46 | In vitro inhibition of Cyclin-dependent kinase 2 was determined. | 12941311 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12941312 | 10.1016/s0960-894x(03)00203-8 | Cyclin-dependent kinase 4 | 1 |
| 12941312 | 10.1016/s0960-894x(03)00203-8 | Cyclin-dependent kinase 2 | 1 |
| 12941311 | 10.1016/s0960-894x(03)00202-6 | Cyclin-dependent kinase 4 | 1 |
| 12941311 | 10.1016/s0960-894x(03)00202-6 | Cyclin-dependent kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine