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

CHEMBL1784095

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
CC(C)(C)OC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(Br)o2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1784095
Phase Preclinical
Structure Type MOL
InChI Key WEAWIXBUSLRHAI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

484.8
MW (Da)
5.00
ALogP
5
HBA
1
HBD
75.0
PSA (Ų)
0.66
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23BrClN3O4
MW 484.78
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.98

Activity Summary

IC50 1 meas. best 5.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 8
CHEMBL2276
 IC50 5.2 5.2 6300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 8 IC50 = 6300.0 nM 5.2 Inhibition of JNK1 using biotinylated ATF2 and ATP substrates by HTRF assay 19433357

Literature References

PubMed DOI Target Context # Activities
19433357 10.1016/j.bmcl.2009.03.086 Mitogen-activated protein kinase 10 1
19433357 10.1016/j.bmcl.2009.03.086 Mitogen-activated protein kinase 8 1
19433357 10.1016/j.bmcl.2009.03.086 Unchecked 1

Data from ChEMBL 36 via Core Engine