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

CHEMBL289155

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
CC(=O)Nc1ccc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3C)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL289155
Phase Preclinical
Structure Type MOL
InChI Key QTJDAXPHEZBXPA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

421.5
MW (Da)
5.11
ALogP
5
HBA
3
HBD
97.3
PSA (Ų)
0.53
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27N5O3
MW 421.50
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.49

Activity Summary

IC50 1 meas. best 6.63

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
 IC50 6.63 6.63 235.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 IC50 = 235.0 nM 6.63 Inhibitory activity against Mitogen-activated protein kinase p38 alpha 2 12039561

Literature References

PubMed DOI Target Context # Activities
12039561 10.1016/s0960-894x(02)00238-x Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine