Compound Detail
CHEMBL5836966
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Basic Information
| ChEMBL ID | CHEMBL5836966 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMKJGRXMBFNOGA-IBGZPJMESA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
307.4
MW (Da)
3.78
ALogP
3
HBA
2
HBD
57.8
PSA (Ų)
0.84
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 alpha CHEMBL2850 | IC50 | 7.38 | 6.82 | 42.0 | 2 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 6.65 | 6.65 | 225.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 alpha | IC50 | = | 42.0 | nM | 7.38 | Caliper Assay: A selection of compounds was screened against a selected panel of... | - |
| Glycogen synthase kinase-3 beta | IC50 | = | 225.0 | nM | 6.65 | Caliper Assay: A selection of compounds was screened against a selected panel of... | - |
| Glycogen synthase kinase-3 alpha | IC50 | = | 550.0 | nM | 6.26 | Caliper Assay: A solution of 4× inhibitor (5 μL), 4× substrate/ATP-Metal solutio... | - |
Data from ChEMBL 36 via Core Engine