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

CHEMBL5954596

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
Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)N(C)C2CCCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5954596
Phase Preclinical
Structure Type MOL
InChI Key WQWNSNXUTDDZNE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

408.5
MW (Da)
5.10
ALogP
2
HBA
1
HBD
49.4
PSA (Ų)
0.75
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29FN2O2
MW 408.52
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.30

Activity Summary

IC50 1 meas. best 6.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
 IC50 6.26 6.26 550.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 IC50 = 550.0 nM 6.26 Assay of p38 Kinase Activity: Experimental Method: 40 nM p38a was added into a r... -

Data from ChEMBL 36 via Core Engine