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Compound Detail

CHEMBL555457

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Fc1ccc2[nH]ccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL555457
Phase Preclinical
Structure Type MOL
InChI Key ODFFPRGJZRXNHZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

135.1
MW (Da)
2.31
ALogP
0
HBA
1
HBD
15.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H6FN
MW 135.14
Aromatic Rings 2
Heavy Atoms 10
NP-Likeness -1.38

Literature References

PubMed DOI Target Context # Activities
19618939 10.1021/jm900259h Leukotriene A-4 hydrolase 2
19618939 10.1021/jm900259h Blood 1
19618939 10.1021/jm900259h No relevant target 1

Data from ChEMBL 36 via Core Engine