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Compound Detail

CHEMBL2397722

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CN(CCCF)c1ccc(-c2cc3ccccc3[nH]2)cc1

Basic Information

ChEMBL ID CHEMBL2397722
Phase Preclinical
Structure Type MOL
InChI Key IJJGVWXPSZVOIN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

282.4
MW (Da)
4.63
ALogP
1
HBA
1
HBD
19.0
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 C18H19FN2
MW 282.36
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.30

Activity Summary

Ki 1 meas. best 7.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amyloid-beta precursor protein
CHEMBL2487
Ki 7.5 7.5 31.5 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23673220 10.1016/j.bmc.2013.04.028 Amyloid-beta precursor protein 1

Data from ChEMBL 36 via Core Engine