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

CHEMBL2177221

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(NC(=O)c2ccccc2)cc1Nc1ccc2c(c1)OCc1ccccc1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2177221
Phase Preclinical
Structure Type MOL
InChI Key PZHNBWNUWCABTC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

434.5
MW (Da)
6.11
ALogP
4
HBA
2
HBD
67.4
PSA (Ų)
0.41
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H22N2O3
MW 434.50
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.85

Activity Summary

IC50 1 meas. best 7.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
 IC50 7.77 7.77 17.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 IC50 = 17.0 nM 7.77 Inhibition of MAP kinase p38alpha assessed as phosphorylation of ATF-2 22897496

Literature References

PubMed DOI Target Context # Activities
22897496 10.1021/jm300951u Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine