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

CHEMBL5559896

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
O=S(=O)(c1ccc2oc(-c3cccnc3)nc2c1)c1ccc2oc(-c3cccnc3)nc2c1

Basic Information

ChEMBL ID CHEMBL5559896
Phase Preclinical
Structure Type MOL
InChI Key SQTJTALRWRAGIV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

454.5
MW (Da)
4.93
ALogP
8
HBA
0
HBD
112.0
PSA (Ų)
0.37
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H14N4O4S
MW 454.47
Aromatic Rings 6
Heavy Atoms 33
NP-Likeness -1.09

Activity Summary

IC50 1 meas. best 7.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 7.8 7.8 16.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 16.0 nM 7.8 Inhibition of Wnt/beta-catenin signalling in HEK293 cells assessed as reduction ... 38621327

Literature References

PubMed DOI Target Context # Activities
38621327 10.1016/j.ejmech.2024.116408 Unchecked 1

Data from ChEMBL 36 via Core Engine