Compound Detail
CHEMBL303926
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Basic Information
| ChEMBL ID | CHEMBL303926 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXZHKVLOSBCWDY-LSHDLFTRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
332.3
MW (Da)
3.40
ALogP
6
HBA
1
HBD
68.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 alpha CHEMBL2850 | IC50 | 8.21 | 8.21 | 6.2 | 1 |
| Glycogen synthase kinase-3 CHEMBL2095188 | IC50 | 6.2 | 6.2 | 631.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 alpha | IC50 | = | 6.2 | nM | 8.21 | Inhibition of human GSK3alpha using biotin-Ahx-AAAKRREILSRRP-S(PO3)YR-amide as s... | 29306837 |
| Glycogen synthase kinase-3 | IC50 | = | 630.96 | nM | 6.2 | Inhibition of glycogen synthase kinase-3 (GSK3-beta) | 15080993 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15080993 | 10.1016/j.bmcl.2004.02.037 | Glycogen synthase kinase-3 | 3 |
| 15080993 | 10.1016/j.bmcl.2004.02.037 | MDCK | 1 |
| 29306837 | 10.1016/j.ejmech.2017.11.103 | Glycogen synthase kinase-3 alpha | 1 |
Data from ChEMBL 36 via Core Engine