Compound Detail
CHEMBL404488
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Basic Information
| ChEMBL ID | CHEMBL404488 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ULXNOAILDXLVCK-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
381.4
MW (Da)
2.91
ALogP
7
HBA
2
HBD
124.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.16
IC50 1 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 6.32 | 6.32 | 475.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 6.16 | 6.16 | 691.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | IC50 | = | 475.0 | nM | 6.32 | Inhibition of human GSK3-beta by fluorescence anisotropy binding assay | 18280153 |
| Trypanosoma brucei brucei | EC50 | = | 691.83 | nM | 6.16 | Antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 at 70 hrs... | 28189084 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28189084 | 10.1016/j.ejmech.2017.01.040 | Trypanosoma brucei brucei | 2 |
| 18280153 | 10.1016/j.bmcl.2008.01.113 | Glycogen synthase kinase-3 beta | 1 |
| 28189084 | 10.1016/j.ejmech.2017.01.040 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine