Compound Detail
CHEMBL496778
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 | CHEMBL496778 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTNXNHHGQLANQP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
3.12
ALogP
7
HBA
2
HBD
80.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 | IC50 | = | 160.0 | nM | 6.8 | Inhibition of CDK4 by radioactive glutathione plate-binding assay | 18835709 |
| Glycogen synthase kinase-3 beta | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of GSK3-beta by scintillation proximity assay | 18835709 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18835709 | 10.1016/j.bmcl.2008.09.069 | Cyclin-dependent kinase 4 | 1 |
| 18835709 | 10.1016/j.bmcl.2008.09.069 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine