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Compound Detail

CHEMBL3393156

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CCCOc1c(Br)cc(/C=C(\C#N)C(=O)OCC)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3393156
Phase Preclinical
Structure Type MOL
InChI Key SUYIFAMYZARWNA-KPKJPENVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

368.2
MW (Da)
3.72
ALogP
5
HBA
0
HBD
68.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18BrNO4
MW 368.23
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
25159123 10.1016/j.ejmech.2014.08.060 Protein tyrosine phosphatase type IVA 3 1
25159123 10.1016/j.ejmech.2014.08.060 Protein tyrosine phosphatase type IVA 2 1
25159123 10.1016/j.ejmech.2014.08.060 Protein tyrosine phosphatase type IVA 1 1

Data from ChEMBL 36 via Core Engine