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Compound Detail

CHEMBL246784

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CC(C)N1N=Cc2ccccc2C(NC(=O)[C@H](C)NC(=O)Cc2cc(F)cc(F)c2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL246784
Phase Preclinical
Structure Type MOL
InChI Key SHAVRERCIGSECC-YXWRBFHGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

442.5
MW (Da)
2.45
ALogP
4
HBA
2
HBD
90.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24F2N4O3
MW 442.47
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.90

Activity Summary

IC50 1 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Gamma-secretase
CHEMBL2094135
 IC50 8.4 8.4 4.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Gamma-secretase IC50 = 4.0 nM 8.4 Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 ... 17502137

Literature References

PubMed DOI Target Context # Activities
17502137 10.1016/j.bmcl.2007.04.082 Gamma-secretase 1

Data from ChEMBL 36 via Core Engine