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

CHEMBL4059727

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
CNC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3cccc(C(=O)NC4CC4)c3F)cc1CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4059727
Phase Preclinical
Structure Type MOL
InChI Key BBKNLRCQMMKLGP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

457.5
MW (Da)
4.15
ALogP
4
HBA
3
HBD
87.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H24FN3O3
MW 457.51
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.95

Activity Summary

IC50 1 meas. best 7.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
 IC50 7.39 7.39 40.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 IC50 = 40.9 nM 7.39 Inhibition of P38 alpha MAPK (unknown origin) by ELISA 28834431

Literature References

PubMed DOI Target Context # Activities
28834431 10.1021/acs.jmedchem.7b00745 Liver 2
28834431 10.1021/acs.jmedchem.7b00745 Mitogen-activated protein kinase 14 2

Data from ChEMBL 36 via Core Engine