Compound Detail
CHEMBL4873680
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Basic Information
| ChEMBL ID | CHEMBL4873680 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQSDMIBFNQMFIW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
279.3
MW (Da)
2.88
ALogP
3
HBA
2
HBD
74.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 400.0 | nM | 6.4 | Inhibition of human full length GSK3beta expressed in baculovirus in Sf9 insect ... | 34098466 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34098466 | 10.1016/j.ejmech.2021.113554 | Glycogen synthase kinase-3 beta | 2 |
| 34098466 | 10.1016/j.ejmech.2021.113554 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 2 |
| 34098466 | 10.1016/j.ejmech.2021.113554 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine