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Compound Detail

CHEMBL248339

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COc1cc(/C=C/c2cccc(/C=C/c3ccc(N4CCCC4)c(OC)c3)c2)ccc1N1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL248339
Phase Preclinical
Structure Type MOL
InChI Key ZLCLDUKWGSGWAV-DCIPZJNNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

480.6
MW (Da)
7.25
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.32
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H36N2O2
MW 480.65
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.33

Literature References

PubMed DOI Target Context # Activities
17270435 10.1016/j.bmcl.2006.10.090 Amyloid-beta precursor protein 1

Data from ChEMBL 36 via Core Engine