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Compound Detail

CHEMBL3884307

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Basic Information

ChEMBL ID CHEMBL3884307
Phase Preclinical
Structure Type MOL
InChI Key ZXBMIRYQUFQQNX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

126.1
MW (Da)
1.11
ALogP
2
HBA
2
HBD
38.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H7FN2
MW 126.13
Aromatic Rings 1
Heavy Atoms 9
NP-Likeness -1.91

Literature References

PubMed DOI Target Context # Activities
28197313 10.1021/acsmedchemlett.6b00417 Myeloperoxidase 4

Data from ChEMBL 36 via Core Engine