Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL578836

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1ccc2c(c1)-c1[nH]nc(NCc3c(C)cccc3Cl)c1C2

Basic Information

ChEMBL ID CHEMBL578836
Phase Preclinical
Structure Type MOL
InChI Key JLPAFVDLGBDXBM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

339.8
MW (Da)
4.56
ALogP
3
HBA
2
HBD
49.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18ClN3O
MW 339.83
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.88

Activity Summary

IC50 1 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Eukaryotic translation initiation factor 2-alpha kinase 1
CHEMBL6029
IC50 7.3 7.3 50.1 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 = 50.12 nM 7.3 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