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

CHEMBL5206269

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
C#CCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5206269
Phase Preclinical
Structure Type MOL
InChI Key CVWPKKKDWKQTSH-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

404.5
MW (Da)
3.76
ALogP
3
HBA
1
HBD
66.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20N2O3S
MW 404.49
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.79

Activity Summary

IC50 2 meas. best 7.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
LIM domain kinase 1
CHEMBL3836
 IC50 7.19 7.19 65.0 1
LIM domain kinase 2
CHEMBL5932
 IC50 7.19 7.19 65.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
LIM domain kinase 1 IC50 = 65.0 nM 7.19 Inhibition of recombinant full length LIMK1 (330 to 637 residues) (unknown origi... 36136092
LIM domain kinase 2 IC50 = 65.0 nM 7.19 Inhibition of recombinant full length LIMK2 (330 to 632 residues) (unknown origi... 36136092

Literature References

PubMed DOI Target Context # Activities
36136092 10.1021/acs.jmedchem.2c01106 LIM domain kinase 1 2
36136092 10.1021/acs.jmedchem.2c01106 LIM domain kinase 2 2

Data from ChEMBL 36 via Core Engine