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Compound Detail

CHEMBL236214

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O=C(O)COc1c(O)cc(-c2ccccc2)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL236214
Phase Preclinical
Structure Type MOL
InChI Key NAQODGNUDHWJHJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

260.2
MW (Da)
2.23
ALogP
4
HBA
3
HBD
87.0
PSA (Ų)
0.78
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 C14H12O5
MW 260.25
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.05

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