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Compound Detail

CHEMBL5427321

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COc1ccc(-n2nnc3cnc(Nc4ccc(N)c(C)c4)nc32)cc1

Basic Information

ChEMBL ID CHEMBL5427321
Phase Preclinical
Structure Type MOL
InChI Key QFBPGHGSKMFUDY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
2.85
ALogP
8
HBA
2
HBD
103.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N7O
MW 347.38
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.79

Activity Summary

IC50 1 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
eIF-2-alpha kinase GCN2
CHEMBL5358
IC50 8.4 8.4 4.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
eIF-2-alpha kinase GCN2 IC50 = 4.0 nM 8.4 Inhibition of human recombinant GCN2 using eIF2alpha as substrate 36724635

Literature References

PubMed DOI Target Context # Activities
36724635 10.1016/j.ejmech.2023.115101 eIF-2-alpha kinase GCN2 1

Data from ChEMBL 36 via Core Engine