Compound Detail
CHEMBL5280328
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Basic Information
| ChEMBL ID | CHEMBL5280328 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXZJFKBQRMFGSY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
416.3
MW (Da)
4.16
ALogP
4
HBA
3
HBD
76.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL3669 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 40.0 | nM | 7.4 | Inhibition of recombinant recombinant rat GSK3beta using GS-1 peptide as substra... | 33901899 |
| Unchecked | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of recombinant Plasmodium falciparum GSK3 using GS-1 peptide as subst... | 33901899 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33901899 | 10.1016/j.ejmech.2021.113445 | Unchecked | 1 |
| 33901899 | 10.1016/j.ejmech.2021.113445 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine