Compound Detail
CHEMBL4171806
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Basic Information
| ChEMBL ID | CHEMBL4171806 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FEDXLKKRLHSOJU-UHFFFAOYSA-M |
| Parent Compound | CHEMBL4301241 |
| Active Moiety | CHEMBL4301241 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
399.7
MW (Da)
7.41
ALogP
1
HBA
0
HBD
6.2
PSA (Ų)
0.20
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Eukaryotic elongation factor 2 kinase CHEMBL5026 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Eukaryotic elongation factor 2 kinase | IC50 | = | 60.0 | nM | 7.22 | Inhibition of N-terminal GST-tagged recombinant human eEF2K expressed in Escheri... | 29202403 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29202403 | 10.1016/j.ejmech.2017.11.065 | Eukaryotic elongation factor 2 kinase | 1 |
Data from ChEMBL 36 via Core Engine