Compound Detail
CHEMBL5174733
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Basic Information
| ChEMBL ID | CHEMBL5174733 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQNUUZACFPKMEP-BJUDXGSMSA-N |
| Parent Compound | CHEMBL5221576 |
| Active Moiety | CHEMBL5221576 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
361.3
MW (Da)
4.91
ALogP
3
HBA
2
HBD
63.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 CHEMBL2095188 | Ki | 9.22 | 9.22 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 | Ki | = | 0.6 | nM | 9.22 | Binding affinity to GSK-3 (unknown origin) assessed as inhibition constant | 34905377 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34905377 | 10.1021/acs.jmedchem.1c01571 | Glycogen synthase kinase-3 | 1 |
Data from ChEMBL 36 via Core Engine