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Compound Detail

CHEMBL1933458

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Nc1nc(Cc2ccc(-c3cccc(OCc4ccccc4)c3)cc2)cn1Cc1cc(F)cc(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1933458
Phase Preclinical
Structure Type MOL
InChI Key OUVOZHCHAYJJLX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

481.6
MW (Da)
6.63
ALogP
4
HBA
1
HBD
53.1
PSA (Ų)
0.27
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 C30H25F2N3O
MW 481.55
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -0.68

Literature References

PubMed DOI Target Context # Activities
22209418 10.1016/j.ejmech.2011.12.016 Beta-secretase 1 2

Data from ChEMBL 36 via Core Engine