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

CHEMBL495406

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
CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(OCCC(=O)O)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL495406
Phase Preclinical
Structure Type MOL
InChI Key BYFMJHVTTBQSMJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

418.4
MW (Da)
0.72
ALogP
8
HBA
3
HBD
172.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N4O6S
MW 418.43
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.44

Activity Summary

IC50 1 meas. best 5.79

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 8
CHEMBL2276
 IC50 5.79 5.79 1640.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 8 IC50 = 1640.59 nM 5.79 Inhibition of JNK1 17602798

Literature References

PubMed DOI Target Context # Activities
17602798 10.1016/j.ejmech.2007.04.020 Mitogen-activated protein kinase 8 1

Data from ChEMBL 36 via Core Engine