Compound Detail
CHEMBL103006
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Basic Information
| ChEMBL ID | CHEMBL103006 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFOLIEXFFOBCSM-LQIBPGRFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
3.96
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 4.82 | 4.82 | 15300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 15300.0 | nM | 4.82 | Inhibition of human recombinant GSK3-beta using prephosphorylated polypeptide as... | 26696252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9301668 | 10.1021/jm970190x | Human immunodeficiency virus type 1 integrase | 2 |
| 26696252 | 10.1021/acs.jmedchem.5b00894 | Beta-secretase 1 | 1 |
| 26696252 | 10.1021/acs.jmedchem.5b00894 | Glycogen synthase kinase-3 beta | 1 |
| 26696252 | 10.1021/acs.jmedchem.5b00894 | No relevant target | 1 |
| 26894841 | 10.1016/j.ejmech.2016.02.019 | HepG2 | 1 |
| 29223100 | 10.1016/j.ejmech.2017.11.048 | Nuclear factor erythroid 2-related factor 2 | 1 |
| 29223100 | 10.1016/j.ejmech.2017.11.048 | Luciferin 4-monooxygenase | 1 |
Data from ChEMBL 36 via Core Engine