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Compound Detail

CHEMBL2407623

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CN(C)c1ccc(-c2cnc3ccc(OCCF)cc3n2)cc1

Basic Information

ChEMBL ID CHEMBL2407623
Phase Preclinical
Structure Type MOL
InChI Key VZZYFTWGRYEVNL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

311.4
MW (Da)
3.71
ALogP
4
HBA
0
HBD
38.2
PSA (Ų)
0.72
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 C18H18FN3O
MW 311.36
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.42

Activity Summary

Ki 1 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amyloid-beta precursor protein
CHEMBL2487
Ki 6.96 6.96 111.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24900717 10.1021/ml4000707 Amyloid-beta precursor protein 1

Data from ChEMBL 36 via Core Engine