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Compound Detail

CHEMBL3393162

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COCCOC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3393162
Phase Preclinical
Structure Type MOL
InChI Key RCZMSNIYQLSFRT-RUDMXATFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

405.0
MW (Da)
3.01
ALogP
5
HBA
1
HBD
79.5
PSA (Ų)
0.35
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H11Br2NO4
MW 405.04
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.75

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