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Compound Detail

CHEMBL1484698

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CCOc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1

Basic Information

ChEMBL ID CHEMBL1484698
Phase Preclinical
Structure Type MOL
InChI Key FMDKYQYDEWKRAG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

431.5
MW (Da)
4.46
ALogP
7
HBA
1
HBD
81.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21N5O2S
MW 431.52
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -2.41

Activity Summary

IC50 1 meas. best 7.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 7.05 7.05 90.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 90.0 nM 7.05 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