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Compound Detail

CHEMBL103253

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CCOP(=O)(CC=O)OCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL103253
Phase Preclinical
Structure Type MOL
InChI Key ZZWQVTBJLLXLPJ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

180.1
MW (Da)
1.45
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H13O4P
MW 180.14
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness 0.19

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
7365745 10.1021/jm00177a018 Mus musculus 2
7365745 10.1021/jm00177a018 Aldehyde oxidase 1

Data from ChEMBL 36 via Core Engine