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Compound Detail

CHEMBL575640

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Cc1ccc(Cn2ncnc2C(NS(=O)(=O)c2ccc(Cl)s2)C(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL575640
Phase Preclinical
Structure Type MOL
InChI Key SIGRQKDGQNYXER-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

425.0
MW (Da)
4.03
ALogP
6
HBA
1
HBD
76.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21ClN4O2S2
MW 424.98
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -2.14

Activity Summary

EC50 1 meas. best 5.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 5.54 5.54 2890.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 2890.0 nM 5.54 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