Compound Detail
CHEMBL259925
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 | CHEMBL259925 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZRFNYHUQSRPCO-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
210.2
MW (Da)
2.21
ALogP
3
HBA
2
HBD
67.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.9
Kd 1 meas. best 4.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 5.9 | 5.9 | 1260.0 | 1 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | IC50 | 5.9 | 5.9 | 1260.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.9 | 5.9 | 1258.9 | 2 |
| Venus kinase receptor 2 CHEMBL5169215 | Kd | 4.33 | 4.33 | 47000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 alpha | IC50 | = | 1260.0 | nM | 5.9 | Inhibition against human glycogen synthase kinase-3alpha (hGSK-3). | 12699759 |
| Glycogen synthase kinase-3 beta | IC50 | = | 1260.0 | nM | 5.9 | Inhibition of recombinant GSK3-beta | 18324764 |
| Unchecked | IC50 | = | 1260.0 | nM | 5.9 | Inhibition of GSK3 | 17707953 |
| Unchecked | IC50 | = | 1258.93 | nM | 5.9 | Inhibition of GSK3 | 17707953 |
| Venus kinase receptor 2 | Kd | = | 47000.0 | nM | 4.33 | Binding affinity to Schistosoma mansoni N-terminal His6-tagged full-length VKR2 ... | 36385939 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17707953 | 10.1016/j.ejmech.2007.06.016 | Unchecked | 2 |
| 12699759 | 10.1016/s0960-894x(03)00134-3 | Glycogen synthase kinase-3 alpha | 1 |
| 18324764 | 10.1021/jm7009765 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL3988181 | Unchecked | 1 |
| 36385939 | 10.1021/acsmedchemlett.2c00248 | Venus kinase receptor 2 | 1 |
| 36385939 | 10.1021/acsmedchemlett.2c00248 | Schistosoma mansoni | 1 |
Data from ChEMBL 36 via Core Engine