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Compound Detail

CHEMBL5424691

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CSc1ccc(C(=O)/C=C/c2cc(O)cc(O)c2)cc1

Basic Information

ChEMBL ID CHEMBL5424691
Phase Preclinical
Structure Type MOL
InChI Key RJZCHVBMWLZCCN-FARCUNLSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

286.4
MW (Da)
3.72
ALogP
4
HBA
2
HBD
57.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14O3S
MW 286.35
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.03

Activity Summary

IC50 1 meas. best 5.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NACHT, LRR and PYD domains-containing protein 3
CHEMBL3779755
IC50 5.8 5.8 1570.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38283225 10.1039/d3md00451a NACHT, LRR and PYD domains-containing protein 3 1

Data from ChEMBL 36 via Core Engine