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Compound Detail

CHEMBL5209076

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Clc1nn(-c2ccc3ncccc3c2)c2nc(Nc3cnn(C4CCNCC4)c3)ncc12

Basic Information

ChEMBL ID CHEMBL5209076
Phase Preclinical
Structure Type MOL
InChI Key QHBOGRZKSLGTJG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

445.9
MW (Da)
3.88
ALogP
9
HBA
2
HBD
98.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20ClN9
MW 445.92
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.74

Activity Summary

IC50 1 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
eIF-2-alpha kinase GCN2
CHEMBL5358
IC50 8.3 8.3 5.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
eIF-2-alpha kinase GCN2 IC50 = 5.0 nM 8.3 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