Compound Detail
CHEMBL5590151
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CNC(=O)c1n[nH]c2c(F)c(-c3c(F)ccc(N(C)S(=O)(=O)c4cc(Cl)cnc4OC)c3F)ccc12
Basic Information
| ChEMBL ID | CHEMBL5590151 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYCULLQSLZYGMF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
539.9
MW (Da)
3.89
ALogP
6
HBA
2
HBD
117.3
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| eIF-2-alpha kinase GCN2 CHEMBL5358 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| eIF-2-alpha kinase GCN2 | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of GCN2 (unknown origin) using GFP-eIF2alpha as substrate incubated f... | 38530741 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38530741 | 10.1021/acs.jmedchem.3c02384 | eIF-2-alpha kinase GCN2 | 1 |
Data from ChEMBL 36 via Core Engine