Compound Detail
CHEMBL255463
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 | CHEMBL255463 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNTQCQYHQRHGKY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
404.9
MW (Da)
2.94
ALogP
4
HBA
2
HBD
95.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 6.05 | 6.05 | 890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | IC50 | = | 24.0 | nM | 7.62 | Inhibition of CDK2 | 18353638 |
| Cyclin-dependent kinase 1 | IC50 | = | 80.0 | nM | 7.1 | Inhibition of CDK1 | 18353638 |
| Cyclin-dependent kinase 4 | IC50 | = | 890.0 | nM | 6.05 | Inhibition of CDK4 | 18353638 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18353638 | 10.1016/j.bmcl.2008.03.002 | Cyclin-dependent kinase 2 | 1 |
| 18353638 | 10.1016/j.bmcl.2008.03.002 | Cyclin-dependent kinase 4 | 1 |
| 18353638 | 10.1016/j.bmcl.2008.03.002 | Cyclin-dependent kinase 1 | 1 |
| 18353638 | 10.1016/j.bmcl.2008.03.002 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine