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Compound Detail

CHEMBL574767

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CCC(CC)C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccnn1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL574767
Phase Preclinical
Structure Type MOL
InChI Key JRZUDXSXEGLTQU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

418.0
MW (Da)
4.98
ALogP
4
HBA
1
HBD
64.0
PSA (Ų)
0.56
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 C21H24ClN3O2S
MW 417.96
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.52

Activity Summary

EC50 1 meas. best 4.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 4.64 4.64 22970.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 22970.0 nM 4.64 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