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Compound Detail

CHEMBL6027496

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O=C(CCC(=O)c1ccccn1)c1ccc2c(c1)OCCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6027496
Phase Preclinical
Structure Type MOL
InChI Key DMBCGEJVWBLNDP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

297.3
MW (Da)
2.70
ALogP
5
HBA
0
HBD
65.5
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 C17H15NO4
MW 297.31
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.89

Activity Summary

IC50 1 meas. best 7.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Catenin beta-1
CHEMBL5866
 IC50 7.89 7.89 13.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Catenin beta-1 IC50 = 13.0 nM 7.89 Wnt activity assay: Compounds that enhance the Wnt activity, or Activators, were... -

Data from ChEMBL 36 via Core Engine