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Compound Detail

CHEMBL401434

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CCNC(=O)C(CC)(CC)C(=O)N[C@H]1N=C(c2ccccc2)c2ccccc2N(C)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL401434
Phase Preclinical
Structure Type MOL
InChI Key ISYBSPODGQIOTR-OAQYLSRUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

434.5
MW (Da)
2.89
ALogP
4
HBA
2
HBD
90.9
PSA (Ų)
0.66
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 C25H30N4O3
MW 434.54
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.19

Activity Summary

Ki 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Gamma-secretase
CHEMBL2094135
 Ki 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Gamma-secretase Ki = 1000.0 nM 6.0 Displacement of [3H]succinamide from gamma secretase in THP1 cell membranes 17502143

Literature References

PubMed DOI Target Context # Activities
17502143 10.1016/j.bmcl.2007.04.102 Gamma-secretase 2

Data from ChEMBL 36 via Core Engine