Compound Detail
CHEMBL211192
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Basic Information
| ChEMBL ID | CHEMBL211192 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUXRZTGKMHMOES-ZFUDNRMFSA-N |
| Parent Compound | CHEMBL379878 |
| Active Moiety | CHEMBL379878 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
455.4
MW (Da)
4.83
ALogP
5
HBA
2
HBD
73.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 CHEMBL2095188 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of porcine brain GSK3alpha/beta | 16854069 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16854069 | 10.1021/jm060314i | SH-SY5Y | 2 |
| 16854069 | 10.1021/jm060314i | Glycogen synthase kinase-3 | 2 |
| 16854069 | 10.1021/jm060314i | Cyclin-dependent kinase 5/CDK5 activator 1 | 2 |
| 16854069 | 10.1021/jm060314i | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine