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Compound Detail

CHEMBL5178135

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CCn1cc(Nc2ncc3ccn(-c4ccc(OC)cc4)c3n2)cn1

Basic Information

ChEMBL ID CHEMBL5178135
Phase Preclinical
Structure Type MOL
InChI Key JSRSGNJGYXKOAC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
3.39
ALogP
7
HBA
1
HBD
69.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N6O
MW 334.38
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.81

Activity Summary

IC50 1 meas. best 6.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
eIF-2-alpha kinase GCN2
CHEMBL5358
IC50 6.39 6.39 405.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
eIF-2-alpha kinase GCN2 IC50 = 405.0 nM 6.39 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