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Compound Detail

CHEMBL3883935

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OC/C=N/Nc1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3883935
Phase Preclinical
Structure Type MOL
InChI Key STERECZFJHNVBC-BJMVGYQFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

168.2
MW (Da)
1.22
ALogP
3
HBA
2
HBD
44.6
PSA (Ų)
0.53
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 C8H9FN2O
MW 168.17
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -1.30

Literature References

PubMed DOI Target Context # Activities
28197313 10.1021/acsmedchemlett.6b00417 Myeloperoxidase 3

Data from ChEMBL 36 via Core Engine