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

CHEMBL5969239

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
CN(c1ncccc1CNc1nc(Nc2ccc(C#N)cc2)ncc1C(F)(F)F)S(C)(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5969239
Phase Preclinical
Structure Type MOL
InChI Key DNQMBMHEDHWHFG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

477.5
MW (Da)
3.51
ALogP
8
HBA
2
HBD
123.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18F3N7O2S
MW 477.47
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.79

Activity Summary

IC50 1 meas. best 9.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Focal adhesion kinase 1
CHEMBL2695
 IC50 9.22 9.22 0.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Focal adhesion kinase 1 IC50 = 0.6 nM 9.22 In Vitro Activity Assay: The in vitro activity of the compounds of the compounds... -

Data from ChEMBL 36 via Core Engine