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Compound Detail

CHEMBL3288542

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Nc1cc(=O)n(Cc2ccccc2)c(SCc2ccccc2)n1

Basic Information

ChEMBL ID CHEMBL3288542
Phase Preclinical
Structure Type MOL
InChI Key WEBVXYQRUGGBFD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

323.4
MW (Da)
3.17
ALogP
5
HBA
1
HBD
60.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N3OS
MW 323.42
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.29

Activity Summary

IC50 1 meas. best 4.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HT-29
CHEMBL384
IC50 4.26 4.26 54300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HT-29 IC50 = 54300.0 nM 4.26 Inhibition of Wnt signaling in human HT29 cells assessed as inhibition of beta-c... 24950489

Literature References

Data from ChEMBL 36 via Core Engine