Compound Detail
CHEMBL4514599
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Basic Information
| ChEMBL ID | CHEMBL4514599 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSKKNBZYECOLGO-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
339.3
MW (Da)
3.27
ALogP
5
HBA
2
HBD
110.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 6.46 | 6.46 | 347.9 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.17 | 5.17 | 6780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 347.9 | nM | 6.46 | Inhibition of recombinant human GSK3beta using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as ... | 30902399 |
| Glycogen synthase kinase-3 beta | IC50 | = | 348.0 | nM | 6.46 | Inhibition of human recombinant GSK-3 beta using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE a... | 34780899 |
| Unchecked | IC50 | = | 6780.0 | nM | 5.17 | Inhibition of yeast alpha-glucosidase | 34780899 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34780899 | 10.1016/j.bmcl.2021.128449 | Unchecked | 3 |
| 34780899 | 10.1016/j.bmcl.2021.128449 | Rattus norvegicus | 3 |
| 30902399 | 10.1016/j.bmc.2019.03.028 | Glycogen synthase kinase-3 beta | 2 |
| 30902399 | 10.1016/j.bmc.2019.03.028 | PBMC | 1 |
| 30902399 | 10.1016/j.bmc.2019.03.028 | A549 | 1 |
| 34780899 | 10.1016/j.bmcl.2021.128449 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine