Compound Detail
CHEMBL40022
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 | CHEMBL40022 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCSLTEJWVSDLGQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
283.4
MW (Da)
3.47
ALogP
5
HBA
0
HBD
51.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 4.54 | 4.54 | 29000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 29000.0 | nM | 4.54 | Inhibitory concentration against human Glycogen synthase kinase-3 | 12031334 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12031334 | 10.1016/s0960-894x(02)00169-5 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine