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

CHEMBL1825154

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
Cc1ccc(C(=O)Nc2ccon2)cc1-c1ccc2c(c1)NC(=O)C21CCC(F)(F)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1825154
Phase Preclinical
Structure Type MOL
InChI Key IRPKJXGDXVWWFC-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

437.4
MW (Da)
5.30
ALogP
4
HBA
2
HBD
84.2
PSA (Ų)
0.58
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 C24H21F2N3O3
MW 437.45
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.73

Activity Summary

IC50 2 meas. best 9.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
 IC50 9.05 8.68 0.9 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 IC50 = 0.9 nM 9.05 Inhibition of human p38alpha using biotinylated ATF2 substrate by FRET assay 21813275
Mitogen-activated protein kinase 14 IC50 = 4.9 nM 8.31 Inhibition of p38alpha in human whole blood assessed as reduction in TNF-alpha p... 21813275

Literature References

PubMed DOI Target Context # Activities
21813275 10.1016/j.bmcl.2011.07.033 ADMET 4
21813275 10.1016/j.bmcl.2011.07.033 Mitogen-activated protein kinase 14 2
21813275 10.1016/j.bmcl.2011.07.033 Caco-2 2

Data from ChEMBL 36 via Core Engine