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Compound Detail

CHEMBL229239

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O=C(O)c1cc(F)ccc1O

Basic Information

ChEMBL ID CHEMBL229239
Phase Preclinical
Structure Type MOL
InChI Key JWPRICQKUNODPZ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names

Molecular Properties

156.1
MW (Da)
1.23
ALogP
2
HBA
2
HBD
57.5
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 C7H5FO3
MW 156.11
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness -0.69

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
27089213 10.1016/j.ejmech.2016.04.007 RAW264.7 4
17692525 10.1016/j.bmc.2007.07.010 Tyrosine-protein phosphatase non-receptor type 1 1
21189019 10.1021/jm101266s Matrix metalloproteinase-9 1
21189019 10.1021/jm101266s Nitric oxide synthase, inducible 1
21189019 10.1021/jm101266s Interstitial collagenase 1
21189019 10.1021/jm101266s Neutrophil collagenase 1
21189019 10.1021/jm101266s 72 kDa type IV collagenase 1
21189019 10.1021/jm101266s Lethal factor 1
21189019 10.1021/jm101266s Polyunsaturated fatty acid 5-lipoxygenase 1
21189019 10.1021/jm101266s Stromelysin-1 1
21189019 10.1021/jm101266s Tyrosinase 1
24262887 10.1016/j.bmc.2013.10.037 Indoleamine 2,3-dioxygenase 1 1
309947 10.1021/jm00209a001 Rattus norvegicus 1
26322531 10.1021/acs.jmedchem.5b00871 D-amino-acid oxidase 1
26322531 10.1021/acs.jmedchem.5b00871 D-aspartate oxidase 1

Data from ChEMBL 36 via Core Engine