Compound Detail
CHEMBL1081446
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Basic Information
| ChEMBL ID | CHEMBL1081446 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFDMEDJZSUJVGC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
339.3
MW (Da)
1.09
ALogP
7
HBA
3
HBD
125.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | Ki | 8.11 | 8.11 | 7.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | Ki | = | 7.7 | nM | 8.11 | 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