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

CHEMBL5088760

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=CC(=O)N1C(=O)CC(c2ccc(Cl)cc2)Sc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5088760
Phase Preclinical
Structure Type MOL
InChI Key JKDKSIPDFWUKSW-UHFFFAOYSA-N
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

343.8
MW (Da)
4.62
ALogP
3
HBA
0
HBD
37.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14ClNO2S
MW 343.84
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.71

Activity Summary

IC50 6 meas. best 5.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen synthase kinase-3 beta
CHEMBL262
 IC50 5.17 5.17 6700.0 1
Raji
CHEMBL614628
 IC50 4.74 4.74 18390.0 1
NB-4
CHEMBL614188
 IC50 4.65 4.65 22620.0 1
NB4-DR1
CHEMBL5058617
 IC50 4.32 4.32 48270.0 1
MOLT-4
CHEMBL614177
 IC50 4.08 4.08 82360.0 1
HL-60
CHEMBL383
 IC50 4.02 4.02 95710.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen synthase kinase-3 beta IC50 = 6700.0 nM 5.17 Inhibition of recombinant human GSK-3beta using GS-2 peptide as substrate incuba... 34027661
Raji IC50 = 18390.0 nM 4.74 Cytotoxicity against human Raji cells assessed as reduction in cell viability me... 34027661
NB-4 IC50 = 22620.0 nM 4.65 Cytotoxicity against human NB-4 cells assessed as reduction in cell viability me... 34027661
NB4-DR1 IC50 = 48270.0 nM 4.32 Antiproliferative activity against human NB4-DR1 cells assessed as reduction in ... 34027661
MOLT-4 IC50 = 82360.0 nM 4.08 Cytotoxicity against human MOLT-4 cells assessed as reduction in cell viability ... 34027661
HL-60 IC50 = 95710.0 nM 4.02 Cytotoxicity against human HL-60 cells assessed as reduction in cell viability m... 34027661

Literature References

PubMed DOI Target Context # Activities
34027661 10.1021/acs.jmedchem.0c02254 Fibroblast growth factor receptor 1 1
34027661 10.1021/acs.jmedchem.0c02254 HUVEC 1
34027661 10.1021/acs.jmedchem.0c02254 Tyrosine-protein kinase ABL1 1
34027661 10.1021/acs.jmedchem.0c02254 Proto-oncogene tyrosine-protein kinase Src 1
34027661 10.1021/acs.jmedchem.0c02254 Receptor tyrosine-protein kinase erbB-4 1
34027661 10.1021/acs.jmedchem.0c02254 Proto-oncogene tyrosine-protein kinase receptor Ret 1
34027661 10.1021/acs.jmedchem.0c02254 Epidermal growth factor receptor 1
34027661 10.1021/acs.jmedchem.0c02254 Ephrin type-A receptor 2 1
34027661 10.1021/acs.jmedchem.0c02254 Mast/stem cell growth factor receptor Kit 1
34027661 10.1021/acs.jmedchem.0c02254 Platelet-derived growth factor receptor beta 1
34027661 10.1021/acs.jmedchem.0c02254 Platelet-derived growth factor receptor alpha 1
34027661 10.1021/acs.jmedchem.0c02254 Glycogen synthase kinase-3 beta 1
34027661 10.1021/acs.jmedchem.0c02254 Vascular endothelial growth factor receptor 2 1
34027661 10.1021/acs.jmedchem.0c02254 Vascular endothelial growth factor receptor 1 1
34027661 10.1021/acs.jmedchem.0c02254 Unchecked 1
34027661 10.1021/acs.jmedchem.0c02254 Casein kinase 2 1
34027661 10.1021/acs.jmedchem.0c02254 Glycogen synthase kinase-3 alpha 1
34027661 10.1021/acs.jmedchem.0c02254 Raji 1
34027661 10.1021/acs.jmedchem.0c02254 HL-60 1
34027661 10.1021/acs.jmedchem.0c02254 MOLT-4 1

Data from ChEMBL 36 via Core Engine