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Compound Detail

CHEMBL246371

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C[C@H](NC(=O)Cc1cccnc1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL246371
Phase Preclinical
Structure Type MOL
InChI Key VAYYYCIYWDRNOL-FVRDMJKUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

379.4
MW (Da)
0.79
ALogP
5
HBA
2
HBD
103.8
PSA (Ų)
0.80
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 C20H21N5O3
MW 379.42
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.92

Activity Summary

IC50 1 meas. best 6.79

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Gamma-secretase
CHEMBL2094135
 IC50 6.79 6.79 162.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Gamma-secretase IC50 = 162.0 nM 6.79 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