Compound Detail
CHEMBL1081429
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Basic Information
| ChEMBL ID | CHEMBL1081429 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZIFBCRFTOLLEF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
358.8
MW (Da)
2.66
ALogP
6
HBA
2
HBD
84.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | Ki | 7.36 | 7.36 | 44.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | Ki | = | 44.0 | nM | 7.36 | Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/... | 20138514 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20138514 | 10.1016/j.bmcl.2010.01.072 | Glycogen synthase kinase-3 beta | 1 |
Data from ChEMBL 36 via Core Engine