Compound Detail
CHEMBL489833
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 | CHEMBL489833 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GAVPKFXPGFHFSY-UHFFFAOYSA-N |
8
Targets
10
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
451.3
MW (Da)
3.75
ALogP
5
HBA
2
HBD
84.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 9.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 9.29 | 9.29 | 0.5 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 6.47 | 6.365 | 337.0 | 2 |
| CDK6/cyclin D3 CHEMBL2111448 | IC50 | 6.29 | 6.29 | 510.0 | 1 |
| Cyclin-dependent kinase 1/cyclin B1 CHEMBL1907602 | IC50 | 6.03 | 6.03 | 930.0 | 1 |
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 5.97 | 5.97 | 1080.0 | 1 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 5.95 | 5.945 | 1130.0 | 2 |
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 5.91 | 5.91 | 1220.0 | 1 |
| Cyclin-dependent kinase 3 CHEMBL4442 | IC50 | 5.91 | 5.91 | 1220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 0.51 | nM | 9.29 | Inhibition of human GSK3-beta by scintillation counting | 19338355 |
| Cyclin-dependent kinase 2 | IC50 | = | 337.0 | nM | 6.47 | Inhibition of CDK2/Cyclin E | 19338355 |
| CDK6/cyclin D3 | IC50 | = | 510.0 | nM | 6.29 | Inhibition of CDK6/cyclin D3 | 19338355 |
| Cyclin-dependent kinase 2 | IC50 | = | 550.0 | nM | 6.26 | Inhibition of CDK2/Cyclin A | 19338355 |
| Cyclin-dependent kinase 1/cyclin B1 | IC50 | = | 930.0 | nM | 6.03 | Inhibition of CDK1/Cyclin B | 19338355 |
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 1080.0 | nM | 5.97 | Inhibition of CDK4/Cyclin D1 | 19338355 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 1130.0 | nM | 5.95 | Inhibition of CDK5/P35 | 19338355 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 1160.0 | nM | 5.94 | Inhibition of CDK5/P25 | 19338355 |
| Cyclin-dependent kinase 3 | IC50 | = | 1220.0 | nM | 5.91 | Inhibition of CDK3/Cyclin E | 19338355 |
| CDK9/cyclin T1 | IC50 | = | 1220.0 | nM | 5.91 | Inhibition of CDK9/cyclin T1 | 19338355 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19338355 | 10.1021/jm801317h | Unchecked | 9 |
| 19338355 | 10.1021/jm801317h | Cyclin-dependent kinase 2 | 2 |
| 19338355 | 10.1021/jm801317h | Cyclin-dependent kinase 5/CDK5 activator 1 | 2 |
| 19338355 | 10.1021/jm801317h | Glycogen synthase kinase-3 beta | 1 |
| 19338355 | 10.1021/jm801317h | Cyclin-dependent kinase 1/cyclin B1 | 1 |
| 19338355 | 10.1021/jm801317h | Cyclin-dependent kinase 3 | 1 |
| 19338355 | 10.1021/jm801317h | Cyclin-dependent kinase 4/cyclin D1 | 1 |
| 19338355 | 10.1021/jm801317h | CDK6/cyclin D3 | 1 |
| 19338355 | 10.1021/jm801317h | CDK9/cyclin T1 | 1 |
Data from ChEMBL 36 via Core Engine