Compound Detail
CHEMBL157999
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Basic Information
| ChEMBL ID | CHEMBL157999 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AODAEDMAPRQATI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
190.2
MW (Da)
0.74
ALogP
2
HBA
1
HBD
49.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 CHEMBL2095188 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of rabbit GSK3 | 16279768 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3989820 | 10.1021/jm50001a012 | Mus musculus | 6 |
| 16279768 | 10.1021/jm040895g | Glycogen synthase kinase-3 | 1 |
| 23509929 | 10.1021/jm4002605 | Hepatitis C virus | 1 |
Data from ChEMBL 36 via Core Engine