Compound Detail
CHEMBL204886
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Basic Information
| ChEMBL ID | CHEMBL204886 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXSQIQBQZJHGEK-FSJBWODESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
3.27
ALogP
7
HBA
1
HBD
77.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 CHEMBL2095188 | IC50 | 7.5 | 7.5 | 31.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 | IC50 | = | 31.62 | nM | 7.5 | Inhibition of GSK3 | 16460937 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16460937 | 10.1016/j.bmcl.2006.01.057 | Glycogen synthase kinase-3 | 1 |
Data from ChEMBL 36 via Core Engine