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Compound Detail

CHEMBL3427135

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CCCC(=O)C1=C(O)OC(C)(C)OC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3427135
Phase Preclinical
Structure Type MOL
InChI Key ZMJALGTUBWZFSE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

214.2
MW (Da)
1.43
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H14O5
MW 214.22
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 0.97

Literature References

PubMed DOI Target Context # Activities
25938987 10.1016/j.ejmech.2015.04.036 Tyrosine-protein phosphatase non-receptor type 1 1
25938987 10.1016/j.ejmech.2015.04.036 Low molecular weight phosphotyrosine protein phosphatase 1
25938987 10.1016/j.ejmech.2015.04.036 M-phase inducer phosphatase 2 1
25938987 10.1016/j.ejmech.2015.04.036 No relevant target 1

Data from ChEMBL 36 via Core Engine