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Compound Detail

CHEMBL5590134

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COc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3cn[nH]c3c2F)c1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5590134
Phase Preclinical
Structure Type MOL
InChI Key CHQGTQHJHLIIIB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

468.8
MW (Da)
4.51
ALogP
5
HBA
2
HBD
97.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H12ClF3N4O3S
MW 468.84
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.82

Activity Summary

IC50 1 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
eIF-2-alpha kinase GCN2
CHEMBL5358
 IC50 6.6 6.6 250.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
eIF-2-alpha kinase GCN2 IC50 = 250.0 nM 6.6 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