Compound Detail
CHEMBL5590796
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CNC(=O)c1ncn2c(F)c(-c3c(F)ccc(NS(=O)(=O)c4cc(Cl)cnc4OC)c3F)ccc12
Basic Information
| ChEMBL ID | CHEMBL5590796 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYRAGIUNEKRKPA-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
525.9
MW (Da)
3.64
ALogP
7
HBA
2
HBD
114.7
PSA (Ų)
0.37
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.85
IC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| eIF-2-alpha kinase GCN2 CHEMBL5358 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| eIF-2-alpha kinase GCN2 CHEMBL5358 | EC50 | 6.85 | 6.85 | 140.0 | 1 |
| Eukaryotic translation initiation factor 2-alpha kinase 3 CHEMBL6030 | EC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| eIF-2-alpha kinase GCN2 | IC50 | = | 15.0 | nM | 7.82 | Inhibition of GCN2 (unknown origin) using GFP-eIF2alpha as substrate incubated f... | 38530741 |
| eIF-2-alpha kinase GCN2 | EC50 | = | 140.0 | nM | 6.85 | Activation of GCN2 in HEK293 cells transfected with ATF4 response element preinc... | 38530741 |
| Eukaryotic translation initiation factor 2-alpha kinase 3 | EC50 | = | 1500.0 | nM | 5.82 | Activation of PERK in HEK293 cells transfected with ATF4 response element preinc... | 38530741 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38530741 | 10.1021/acs.jmedchem.3c02384 | eIF-2-alpha kinase GCN2 | 3 |
| 38530741 | 10.1021/acs.jmedchem.3c02384 | Eukaryotic translation initiation factor 2-alpha kinase 3 | 2 |
| 38530741 | 10.1021/acs.jmedchem.3c02384 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine