Compound Detail
CHEMBL5284219
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Basic Information
| ChEMBL ID | CHEMBL5284219 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCTGSTAOKPHFTO-RIYZIHGNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
310.3
MW (Da)
3.06
ALogP
4
HBA
3
HBD
87.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 6.81 | 6.81 | 155.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 4.87 | 4.87 | 13500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 155.0 | nM | 6.81 | Inhibition of recombinant human GSK3beta (636 to 661 residues) assessed as reduc... | 37054760 |
| Homo sapiens | IC50 | = | 13500.0 | nM | 4.87 | Antiplatelet activity in platelet rich plasma (unknown origin) assessed as inhib... | 37054760 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37054760 | 10.1016/j.bmcl.2023.129283 | Glycogen synthase kinase-3 beta | 2 |
| 37054760 | 10.1016/j.bmcl.2023.129283 | Homo sapiens | 2 |
| 37054760 | 10.1016/j.bmcl.2023.129283 | Peritoneal macrophage | 1 |
Data from ChEMBL 36 via Core Engine