Compound Detail
CHEMBL101052
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL101052 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACISHMVGWWWZAU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
3.27
ALogP
8
HBA
3
HBD
91.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 4.44 | 4.44 | 36000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 | IC50 | = | 2000.0 | nM | 5.7 | Inhibitory concentration against cyclin-dependent kinase 4 | 12941312 |
| Cyclin-dependent kinase 2 | IC50 | = | 36000.0 | nM | 4.44 | Inhibitory concentration against cyclin-dependent kinase 2 | 12941312 |
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 |
Data from ChEMBL 36 via Core Engine