Compound Detail
CHEMBL4871399
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Basic Information
| ChEMBL ID | CHEMBL4871399 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKCNSXWGOKCJPL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
269.3
MW (Da)
3.20
ALogP
2
HBA
2
HBD
57.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 4800.0 | nM | 5.32 | 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