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Compound Detail

CHEMBL3394545

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Cc1cc(=O)[nH]c2cc(NCc3ccccc3O)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3394545
Phase Preclinical
Structure Type MOL
InChI Key GQXOHRMNPYJLRS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

280.3
MW (Da)
3.15
ALogP
3
HBA
3
HBD
65.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16N2O2
MW 280.33
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.70

Literature References

PubMed DOI Target Context # Activities
25542589 10.1016/j.bmcl.2014.12.034 Amyloid-beta precursor protein 1
25542589 10.1016/j.bmcl.2014.12.034 Amine oxidase [flavin-containing] A 1
25542589 10.1016/j.bmcl.2014.12.034 Amine oxidase [flavin-containing] B 1

Data from ChEMBL 36 via Core Engine