Compound Detail
CHEMBL416975
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Basic Information
| ChEMBL ID | CHEMBL416975 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKOWPPDOTGNHAD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
3.05
ALogP
6
HBA
1
HBD
89.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 8000.0 | nM | 5.1 | Inhibitory concentration against human Glycogen synthase kinase-3 | 12031334 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12031334 | 10.1016/s0960-894x(02)00169-5 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine