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Compound Detail

CHEMBL228562

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O=C(O)c1cc(F)cc(Cc2cc(F)cc(C(=O)O)c2O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL228562
Phase Preclinical
Structure Type MOL
InChI Key DHTUSJZHAWXCNM-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

324.2
MW (Da)
2.36
ALogP
4
HBA
4
HBD
115.1
PSA (Ų)
0.69
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 C15H10F2O6
MW 324.24
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.08

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17692525 10.1016/j.bmc.2007.07.010 Tyrosine-protein phosphatase non-receptor type 1 1

Data from ChEMBL 36 via Core Engine