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Compound Detail

CHEMBL1505335

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Cc1ccc(S(=O)(=O)N2CCN=C2SCc2ccccc2)cc1

Basic Information

ChEMBL ID CHEMBL1505335
Phase Preclinical
Structure Type MOL
InChI Key ALXUSJOBQDDUJC-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

346.5
MW (Da)
3.29
ALogP
4
HBA
0
HBD
49.7
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18N2O2S2
MW 346.48
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.80

Activity Summary

IC50 2 meas. best 5.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NACHT, LRR and PYD domains-containing protein 3
CHEMBL1741208
IC50 5.5 4.94 3170.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine