Compound Detail
CHEMBL456112
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 | CHEMBL456112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXZOTLLHRPPESG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
5.04
ALogP
2
HBA
1
HBD
45.3
PSA (Ų)
0.54
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 4.55 | 4.55 | 28000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 28000.0 | nM | 4.55 | Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retino... | 18650093 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18650093 | 10.1016/j.bmc.2008.07.002 | Cyclin-dependent kinase 4/cyclin D1 | 1 |
| 18650093 | 10.1016/j.bmc.2008.07.002 | Cyclin-dependent kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine