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Compound Detail

CHEMBL3911982

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COc1ccccc1CCNCc1ccccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3911982
Phase Preclinical
Structure Type MOL
InChI Key VUTFHSCSWWFGHT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

259.3
MW (Da)
3.17
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18FNO
MW 259.32
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.17

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