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Compound Detail

CHEMBL205332

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Nc1ccc(/C=C/C=C/C=C/c2ccc(NCCF)cc2)cc1

Basic Information

ChEMBL ID CHEMBL205332
Phase Preclinical
Structure Type MOL
InChI Key FVHZSWVKULWXON-CRQXNEITSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

308.4
MW (Da)
4.93
ALogP
2
HBA
2
HBD
38.0
PSA (Ų)
0.56
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 C20H21FN2
MW 308.40
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.22

Activity Summary

Ki 2 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amyloid-beta precursor protein
CHEMBL2487
Ki 7.92 7.29 12.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16640346 10.1021/jm051020k Amyloid-beta precursor protein 2

Data from ChEMBL 36 via Core Engine