PRADEFOVIR MESYLATE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 0D5204ZSIX

Structure
InChI Key JXQUAHHUSMJUFV-HZPZRMRQSA-N
Smile CS(=O)(=O)O.Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2cccc(Cl)c2)O1
InChI
InChI=1S/C17H19ClN5O4P.CH4O3S/c18-13-3-1-2-12(8-13)14-4-6-26-28(24,27-14)11-25-7-5-23-10-22-15-16(19)20-9-21-17(15)23;1-5(2,3)4/h1-3,8-10,14H,4-7,11H2,(H2,19,20,21);1H3,(H,2,3,4)/t14-,28+;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H23ClN5O7PS
Molecular Weight 519.9
AlogP 3.41
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 114.38
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR DNA polymerase/reverse transcriptase inhibitor PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hepatitis B, Chronic 3 D019694 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3989658
DrugBank DB05478
EPA CompTox DTXSID00211558
FDA SRS 0D5204ZSIX
PubChem 9604653
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