Compound Detail
CHEMBL5208060
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Basic Information
| ChEMBL ID | CHEMBL5208060 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPRSCHYTOJQFOV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
277.3
MW (Da)
3.54
ALogP
4
HBA
0
HBD
63.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase 3 CHEMBL1781857 | IC50 | 9.31 | 9.31 | 0.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase 3 | IC50 | = | 0.49 | nM | 9.31 | Inhibition of Plasmodium falciparum GSK3 measured after 2 hrs by luciferin-based... | 36166733 |
| Glycogen synthase kinase 3 | IC50 | = | 0.49 | nM | 9.31 | Inhibition of recombinant Plasmodium falciparum GSK3 using GS-1 as substrate mea... | 36166733 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36166733 | 10.1021/acs.jmedchem.2c00996 | Glycogen synthase kinase 3 | 2 |
Data from ChEMBL 36 via Core Engine