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Compound Detail

CHEMBL575643

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COc1ccc(Cn2nccc2C(NS(=O)(=O)c2ccc(Cl)s2)C(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL575643
Phase Preclinical
Structure Type MOL
InChI Key RFLAAGZTFLZASD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

440.0
MW (Da)
4.33
ALogP
6
HBA
1
HBD
73.2
PSA (Ų)
0.57
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 C19H22ClN3O3S2
MW 439.99
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -2.02

Activity Summary

EC50 1 meas. best 6.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 6.39 6.39 410.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 410.0 nM 6.39 Inhibition of gamma-secretase-mediated cleavage of human APP expressed in CHO ce... 19443228

Literature References

PubMed DOI Target Context # Activities
19443228 10.1016/j.bmc.2009.04.052 Unchecked 4

Data from ChEMBL 36 via Core Engine