Compound Detail
CHEMBL1801629
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Basic Information
| ChEMBL ID | CHEMBL1801629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYRDLYIFBDWUPP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
278.9
MW (Da)
2.38
ALogP
2
HBA
0
HBD
30.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of GSK3-beta using GS1 as substrate and [gamma-32P]ATP after 20 mins ... | 21500862 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21500862 | 10.1021/jm1016279 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine