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Compound Detail

CHEMBL318466

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CCOC(CCP(=O)(OCC)c1ccccc1)OCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL318466
Phase Preclinical
Structure Type MOL
InChI Key UTQRIKXKWDNRPY-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

300.3
MW (Da)
3.42
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H25O4P
MW 300.33
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.11

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