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Compound Detail

CHEMBL236007

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O=C(O)COc1c(O)cccc1OCc1ccc(C(F)(F)F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL236007
Phase Preclinical
Structure Type MOL
InChI Key WEOXJKKJYFNUIV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

342.3
MW (Da)
3.45
ALogP
4
HBA
2
HBD
76.0
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13F3O5
MW 342.27
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.45

Literature References

PubMed DOI Target Context # Activities
17728130 10.1016/j.bmcl.2007.08.019 Tyrosine-protein phosphatase non-receptor type 1 1

Data from ChEMBL 36 via Core Engine