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Compound Detail

CHEMBL5178602

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CCn1cc(Nc2ncc3c(C)nn(-c4ccc(OC)cc4)c3n2)cn1

Basic Information

ChEMBL ID CHEMBL5178602
Phase Preclinical
Structure Type MOL
InChI Key QNNYZIXGCNFMEP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
3.09
ALogP
8
HBA
1
HBD
82.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19N7O
MW 349.40
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -2.24

Activity Summary

IC50 1 meas. best 7.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
eIF-2-alpha kinase GCN2
CHEMBL5358
IC50 7.09 7.09 81.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
eIF-2-alpha kinase GCN2 IC50 = 81.0 nM 7.09 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