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Compound Detail

CHEMBL2289467

DIMETHYL ACETYLPHOSPHONATE
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COP(=O)(OC)C(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2289467
Name DIMETHYL ACETYLPHOSPHONATE
Phase Preclinical
Structure Type MOL
InChI Key RJTQMWKXFLVXPU-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

152.1
MW (Da)
1.02
ALogP
4
HBA
0
HBD
52.6
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 C4H9O4P
MW 152.09
Aromatic Rings 0
Heavy Atoms 9
NP-Likeness 0.08

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
23398199 10.1021/jf305153h Brassica rapa subsp. oleifera 3

Data from ChEMBL 36 via Core Engine