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Compound Detail

CHEMBL316860

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O=C(O)c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL316860
Phase Preclinical
Structure Type MOL
InChI Key BBYDXOIZLAWGSL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

140.1
MW (Da)
1.52
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.64
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 C7H5FO2
MW 140.11
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness -0.95

Literature References

PubMed DOI Target Context # Activities
23439662 10.1124/dmd.112.048801 ADMET 6
23439662 10.1124/dmd.112.048801 Whole blood 4
1527790 10.1021/jm00096a014 ADMET 2
8667357 10.1021/jm950589q ADMET 1
1527790 10.1021/jm00096a014 No relevant target 1
8411009 10.1021/jm00072a012 Unchecked 1
18570365 10.1021/jm800219f No relevant target 1
26154240 10.1016/j.bmc.2015.06.042 Curvularia lunata 1
32031798 10.1021/acs.jmedchem.9b01746 ATP-dependent Clp protease proteolytic subunit 1

Data from ChEMBL 36 via Core Engine