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Compound Detail

CHEMBL1945999

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O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1ccc2ccccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1945999
Phase Preclinical
Structure Type MOL
InChI Key XJRACTZDWAQGCJ-KPKJPENVSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

326.3
MW (Da)
5.75
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.44
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H13F3O
MW 326.32
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.52

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
22136336 10.1021/jm2012062 Low molecular weight protein-tyrosine phosphatase A 2
22136336 10.1021/jm2012062 Phosphotyrosine-protein phosphatase PTPB 2
22136336 10.1021/jm2012062 No relevant target 1

Data from ChEMBL 36 via Core Engine