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Compound Detail

CHEMBL6044843

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O=C(CCC(=O)c1cccs1)c1ccc2c(c1)OCCO2

Basic Information

ChEMBL ID CHEMBL6044843
Phase Preclinical
Structure Type MOL
InChI Key MXRDEWAZYCCZMP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

302.4
MW (Da)
3.37
ALogP
5
HBA
0
HBD
52.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14O4S
MW 302.35
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.22

Activity Summary

IC50 1 meas. best 7.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Catenin beta-1
CHEMBL5866
IC50 7.42 7.42 38.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Catenin beta-1 IC50 = 38.5 nM 7.42 Wnt activity assay: Compounds that enhance the Wnt activity, or Activators, were... -

Data from ChEMBL 36 via Core Engine