Compound Detail
CHEMBL5284455
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Basic Information
| ChEMBL ID | CHEMBL5284455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXGQYEKBMIBUQS-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
224.3
MW (Da)
2.36
ALogP
2
HBA
1
HBD
42.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 8.38 | 8.38 | 4.2 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 5.52 | 5.31 | 3000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 4.2 | nM | 8.38 | Inhibition of recombinant human GSK3beta (636 to 661 residues) assessed as reduc... | 37054760 |
| Homo sapiens | IC50 | = | 3000.0 | nM | 5.52 | Antiplatelet activity in platelet rich plasma (unknown origin) assessed as inhib... | 37054760 |
| Homo sapiens | IC50 | = | 7900.0 | nM | 5.1 | 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 | Homo sapiens | 5 |
| 37054760 | 10.1016/j.bmcl.2023.129283 | Rattus norvegicus | 4 |
| 37054760 | 10.1016/j.bmcl.2023.129283 | Glycogen synthase kinase-3 beta | 2 |
| 37054760 | 10.1016/j.bmcl.2023.129283 | Peritoneal macrophage | 1 |
Data from ChEMBL 36 via Core Engine