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Compound Detail

CHEMBL5199283

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CCn1cc(Nc2ncc3c(C)nn(-c4ccc5ncccc5c4)c3n2)cn1

Basic Information

ChEMBL ID CHEMBL5199283
Phase Preclinical
Structure Type MOL
InChI Key WFLWIIWVUALNFK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
3.63
ALogP
8
HBA
1
HBD
86.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18N8
MW 370.42
Aromatic Rings 5
Heavy Atoms 28
NP-Likeness -2.45

Activity Summary

IC50 1 meas. best 7.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
eIF-2-alpha kinase GCN2
CHEMBL5358
IC50 7.64 7.64 23.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
eIF-2-alpha kinase GCN2 IC50 = 23.0 nM 7.64 Inhibition of GCN2 (unknown origin) 36127295

Literature References

PubMed DOI Target Context # Activities
36127295 10.1021/acs.jmedchem.2c00736 eIF-2-alpha kinase GCN2 1

Data from ChEMBL 36 via Core Engine