Compound Detail
CHEMBL451570
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 | CHEMBL451570 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCBAQTCTQXHTJG-SSDOTTSWSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
275.3
MW (Da)
1.24
ALogP
4
HBA
3
HBD
96.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cell division cycle 7-related protein kinase CHEMBL5443 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 7.02 | 7.02 | 96.0 | 1 |
| A2780 CHEMBL614004 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cell division cycle 7-related protein kinase | IC50 | = | 5.0 | nM | 8.3 | Inhibition of human Cdc7 assessed as inhibition of rate of phosphorylation of Mc... | 19115845 |
| Cyclin-dependent kinase 9 | IC50 | = | 96.0 | nM | 7.02 | Inhibition of CDK9 | 19115845 |
| A2780 | IC50 | = | 1000.0 | nM | 6.0 | Antiproliferative activity against human A2780 cells after 72 hrs by luciferase ... | 19115845 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19115845 | 10.1021/jm800977q | Cell division cycle 7-related protein kinase | 1 |
| 19115845 | 10.1021/jm800977q | A2780 | 1 |
| 19115845 | 10.1021/jm800977q | Cyclin-dependent kinase 9 | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine