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Compound Detail

CHEMBL578426

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COc1cc2c(cc1OC)-c1[nH]nc(NCc3c(C)cccc3C)c1C2

Basic Information

ChEMBL ID CHEMBL578426
Phase Preclinical
Structure Type MOL
InChI Key GZUVCNPDJISLKF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
4.23
ALogP
4
HBA
2
HBD
59.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23N3O2
MW 349.43
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.44

Activity Summary

IC50 1 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Eukaryotic translation initiation factor 2-alpha kinase 1
CHEMBL6029
IC50 8.1 8.1 7.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Eukaryotic translation initiation factor 2-alpha kinase 1 IC50 = 7.943 nM 8.1 Inhibition of human HRI kinase 19854648

Literature References

PubMed DOI Target Context # Activities
19854648 10.1016/j.bmcl.2009.10.033 Eukaryotic translation initiation factor 2-alpha kinase 1 1

Data from ChEMBL 36 via Core Engine