Compound Detail
CHEMBL5268185
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Basic Information
| ChEMBL ID | CHEMBL5268185 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COJODIOMIPYEGM-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
444.4
MW (Da)
4.90
ALogP
4
HBA
2
HBD
84.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 alpha CHEMBL2850 | IC50 | 9.77 | 9.77 | 0.2 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 9.06 | 8.455 | 0.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 alpha | IC50 | = | 0.17 | nM | 9.77 | Inhibition of GST tagged GSK-3alpha (unknown origin) incubated for 1 hrs by HTRF... | 26751161 |
| Glycogen synthase kinase-3 beta | IC50 | = | 0.87 | nM | 9.06 | Inhibition of GST tagged GSK-3beta (unknown origin) incubated for 1 hrs by HTRF ... | 26751161 |
| Glycogen synthase kinase-3 beta | IC50 | = | 14.0 | nM | 7.85 | Inhibition of GSK-3beta (unknown origin) assessed as decrease in tau phosphoryla... | 26751161 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26751161 | 10.1021/acs.jmedchem.5b01550 | ADMET | 3 |
| 26751161 | 10.1021/acs.jmedchem.5b01550 | Glycogen synthase kinase-3 beta | 2 |
| 26751161 | 10.1021/acs.jmedchem.5b01550 | ATP-dependent translocase ABCB1 | 1 |
| 26751161 | 10.1021/acs.jmedchem.5b01550 | Glycogen synthase kinase-3 alpha | 1 |
Data from ChEMBL 36 via Core Engine