Compound Detail
CHEMBL369220
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Basic Information
| ChEMBL ID | CHEMBL369220 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PURZKCWZRZSACX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
296.7
MW (Da)
3.84
ALogP
3
HBA
2
HBD
65.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 CHEMBL2095188 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 | IC50 | = | 140.0 | nM | 6.85 | Inhibitory activity against GSK-3-alpha/beta from porcine brain | 14761195 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18824607 | 10.1128/aac.00903-08 | ADMET | 2 |
| 14761195 | 10.1021/jm031016d | Cyclin-dependent kinase 1/cyclin B | 1 |
| 14761195 | 10.1021/jm031016d | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 14761195 | 10.1021/jm031016d | Glycogen synthase kinase-3 | 1 |
| 18824607 | 10.1128/aac.00903-08 | Toxoplasma gondii | 1 |
Data from ChEMBL 36 via Core Engine