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

CHEMBL402943

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
CCNC(=O)c1ccc(C)c(NC(=O)c2sc(NCC)nc2C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL402943
Phase Preclinical
Structure Type MOL
InChI Key NUOOEHBAGRZEFP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.5
MW (Da)
3.19
ALogP
5
HBA
3
HBD
83.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22N4O2S
MW 346.46
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -2.37

Activity Summary

IC50 1 meas. best 6.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
 IC50 6.48 6.48 330.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 IC50 = 330.0 nM 6.48 Inhibition of human p38alpha 18313298

Literature References

PubMed DOI Target Context # Activities
18313298 10.1016/j.bmcl.2008.02.031 Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine