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Compound Detail

CHEMBL90095

SODIUM BUTYL METHOXYCARBONYLPHOSPHONATE
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CCCCOP(=O)([O-])C(=O)OC.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL90095
Name SODIUM BUTYL METHOXYCARBONYLPHOSPHONATE
Phase Preclinical
Structure Type MOL
InChI Key MSFWPPJYESXYPI-UHFFFAOYSA-M
Parent Compound CHEMBL1205365
Active Moiety CHEMBL1205365
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

196.1
MW (Da)
1.75
ALogP
4
HBA
1
HBD
72.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H12NaO5P
MW 218.12
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 0.33

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