Compound Detail
CHEMBL4529655
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Basic Information
| ChEMBL ID | CHEMBL4529655 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUONQOFQAYZCSW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
3.74
ALogP
5
HBA
3
HBD
91.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 5.76 | 5.76 | 1717.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 1717.0 | nM | 5.76 | Inhibition of recombinant human GSK3beta using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as ... | 30902399 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
Data from ChEMBL 36 via Core Engine