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Compound Detail

CHEMBL291493

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O=C(O)C(F)(Oc1ccc2ccccc2c1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL291493
Phase Preclinical
Structure Type MOL
InChI Key YSBZYACIASFPPF-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

264.2
MW (Da)
2.05
ALogP
3
HBA
2
HBD
83.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H9FO5
MW 264.21
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.33

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
11459664 10.1016/s0960-894x(01)00325-0 Tyrosine-protein phosphatase non-receptor type 1 1

Data from ChEMBL 36 via Core Engine