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Compound Detail

CHEMBL392113

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CC(C(=O)NCc1ccccc1)C(=O)NC1C(=O)N(C)c2ccccc2-c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL392113
Phase Preclinical
Structure Type MOL
InChI Key VRYUYXCAJGNNHF-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

427.5
MW (Da)
3.44
ALogP
3
HBA
2
HBD
78.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25N3O3
MW 427.50
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.49

Activity Summary

IC50 2 meas. best 10.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Gamma-secretase
CHEMBL2094135
 IC50 10.82 10.47 0.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Gamma-secretase IC50 = 0.015 nM 10.82 Inhibition of human gamma secretase assessed as amyloid-beta40 peptide productio... 17869099
Gamma-secretase IC50 = 0.075 nM 10.12 Inhibition of human gamma secretase in HEK293 cells by reporter gene assay 17869099

Literature References

PubMed DOI Target Context # Activities
17869099 10.1016/j.bmcl.2007.07.078 Gamma-secretase 2

Data from ChEMBL 36 via Core Engine