Compound Detail
CHEMBL5074629
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Basic Information
| ChEMBL ID | CHEMBL5074629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVEQJKBTDGHKNH-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
380.9
MW (Da)
3.58
ALogP
5
HBA
1
HBD
71.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 6.9 | 6.8925 | 125.9 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 125.89 | nM | 6.9 | Inhibition of recombinant human GSK-3-beta using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE a... | 34213342 |
| Glycogen synthase kinase-3 beta | IC50 | = | 130.0 | nM | 6.89 | Inhibition of GSK-3-beta (unknown origin) by ADP Glo assay | 34213342 |
| Glycogen synthase kinase-3 beta | IC50 | = | 130.0 | nM | 6.89 | Inhibition of recombinant human GSK-3-beta using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE a... | 34213342 |
| Glycogen synthase kinase-3 beta | IC50 | = | 130.0 | nM | 6.89 | Inhibition of GSK-3beta (unknown origin) | 35390715 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34213342 | 10.1021/acs.jmedchem.0c02146 | Glycogen synthase kinase-3 beta | 3 |
| 35390715 | 10.1016/j.ejmech.2022.114301 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine