Compound Detail
CHEMBL3407859
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Cc1ccc(C(=O)c2c(-c3ccccc3)n(C)n(-c3ccccc3)c2=O)c(N)c1-c1ccc2nc(CF)sc2c1
Basic Information
| ChEMBL ID | CHEMBL3407859 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLMUKGOQPKWEOQ-UHFFFAOYSA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
548.6
MW (Da)
6.71
ALogP
7
HBA
1
HBD
82.9
PSA (Ų)
0.19
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.22
EC50 1 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Eukaryotic translation initiation factor 2-alpha kinase 3 CHEMBL6030 | IC50 | 8.22 | 6.76 | 6.0 | 5 |
| Eukaryotic translation initiation factor 2-alpha kinase 3 CHEMBL6030 | EC50 | 6.77 | 6.77 | 170.0 | 1 |
| eIF-2-alpha kinase GCN2 CHEMBL5358 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
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 | eIF-2-alpha kinase GCN2 | 1 |
| 25587754 | 10.1021/jm5017494 | Serine/threonine-protein kinase B-raf | 1 |
Data from ChEMBL 36 via Core Engine