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Compound Detail

CHEMBL3933465

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COc1ccccc1CCCNCc1ccccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3933465
Phase Preclinical
Structure Type MOL
InChI Key REVHMJGAVQEXFJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

273.4
MW (Da)
3.56
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.78
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 C17H20FNO
MW 273.35
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.05

Literature References

PubMed DOI Target Context # Activities
27537923 10.1016/j.ejmech.2016.07.053 Myeloperoxidase 1
27537923 10.1016/j.ejmech.2016.07.053 Unchecked 1

Data from ChEMBL 36 via Core Engine