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Compound Detail

CHEMBL574078

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CCC(CC)C(NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1-c1ccc(C(F)(F)F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL574078
Phase Preclinical
Structure Type MOL
InChI Key ACDXMPQSFVRESB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

492.0
MW (Da)
6.06
ALogP
5
HBA
1
HBD
64.0
PSA (Ų)
0.42
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21ClF3N3O2S2
MW 491.99
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.92

Activity Summary

EC50 1 meas. best 5.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 5.66 5.66 2190.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 2190.0 nM 5.66 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