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Compound Detail

CHEMBL273301

SODIUM PHENYL PHENOXYCARBONYLPHOSPHONATE
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O=C(Oc1ccccc1)P(=O)([O-])Oc1ccccc1.[Na+]

Basic Information

ChEMBL ID CHEMBL273301
Name SODIUM PHENYL PHENOXYCARBONYLPHOSPHONATE
Phase Preclinical
Structure Type MOL
InChI Key PMODYMGBEUSNBC-UHFFFAOYSA-M
Parent Compound CHEMBL1206431
Active Moiety CHEMBL1206431
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

278.2
MW (Da)
3.45
ALogP
4
HBA
1
HBD
72.8
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H10NaO5P
MW 300.18
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.06

Activity Summary

IC50 1 meas. best 4.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
DNA polymerase catalytic subunit
CHEMBL1872
IC50 4.28 4.28 52000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
DNA polymerase catalytic subunit IC50 = 52000.0 nM 4.28 Inhibition of HSV-1 DNA polymerase in HSV-1 C42 plaque reduction assay 6298425

Literature References

PubMed DOI Target Context # Activities
6298425 10.1021/jm00356a028 DNA polymerase catalytic subunit 1
6298425 10.1021/jm00356a028 Human alphaherpesvirus 1 1

Data from ChEMBL 36 via Core Engine