Compound Detail
CHEMBL3407861
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Cc1ccc(C(=O)c2c(-c3ccccc3)n(C)n(-c3ccccc3)c2=O)c(N)c1-c1ccc2nc(C(F)(F)F)sc2c1
Basic Information
| ChEMBL ID | CHEMBL3407861 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRQQNHJHIDNZOM-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
4
PK Parameters
4
Publications
0
Known Names
Molecular Properties
584.6
MW (Da)
7.26
ALogP
7
HBA
1
HBD
82.9
PSA (Ų)
0.17
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.28
EC50 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Eukaryotic translation initiation factor 2-alpha kinase 3 CHEMBL6030 | IC50 | 7.28 | 6.62 | 53.0 | 3 |
| Eukaryotic translation initiation factor 2-alpha kinase 3 CHEMBL6030 | EC50 | 5.89 | 5.89 | 1300.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1870.78 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 12.5 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 83.0 | % | Rattus norvegicus |
| MRT | 10.8 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25587754 | 10.1021/jm5017494 | Eukaryotic translation initiation factor 2-alpha kinase 3 | 6 |
| 25587754 | 10.1021/jm5017494 | Rattus norvegicus | 5 |
| 25587754 | 10.1021/jm5017494 | eIF-2-alpha kinase GCN2 | 1 |
| 25587754 | 10.1021/jm5017494 | Serine/threonine-protein kinase B-raf | 1 |
Data from ChEMBL 36 via Core Engine