Compound Detail
CHEMBL1089006
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Basic Information
| ChEMBL ID | CHEMBL1089006 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXFPLECDADHAPB-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
275.4
MW (Da)
2.64
ALogP
4
HBA
2
HBD
82.0
PSA (Ų)
0.84
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.42
IC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Eukaryotic elongation factor 2 kinase CHEMBL5026 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| A549 CHEMBL392 | EC50 | 4.42 | 4.42 | 38000.0 | 1 |
| HCT-116 CHEMBL394 | EC50 | 4.42 | 4.42 | 38000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Eukaryotic elongation factor 2 kinase | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of GST tagged eEf2K expressed in Escherichia coli by fluorometric met... | 20189382 |
| HCT-116 | EC50 | = | 38000.0 | nM | 4.42 | Cytotoxicity against human HCT116 cells after 72 hrs | 20189382 |
| A549 | EC50 | = | 38000.0 | nM | 4.42 | Cytotoxicity against human A549 cells after 72 hrs | 20189382 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20189382 | 10.1016/j.bmcl.2010.02.005 | Eukaryotic elongation factor 2 kinase | 1 |
| 20189382 | 10.1016/j.bmcl.2010.02.005 | HCT-116 | 1 |
| 20189382 | 10.1016/j.bmcl.2010.02.005 | A549 | 1 |
Data from ChEMBL 36 via Core Engine