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Compound Detail

CHEMBL1160309

BENZOYLPHOSPHONATE
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O=C(c1ccccc1)P(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1160309
Name BENZOYLPHOSPHONATE
Phase Preclinical
Structure Type MOL
InChI Key XEDLVIBRXVIWLS-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

186.1
MW (Da)
1.00
ALogP
2
HBA
2
HBD
74.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H7O4P
MW 186.10
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness 0.13

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
12781191 10.1016/s0960-894x(03)00311-1 No relevant target 1
12781191 10.1016/s0960-894x(03)00311-1 Mandelate racemase 1

Data from ChEMBL 36 via Core Engine