ADEFOVIR DIPIVOXIL

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC J05AF08
UNII U6Q8Z01514
EPA CompTox DTXSID5046487

Structure

InChI Key WOZSCQDILHKSGG-UHFFFAOYSA-N
Smiles CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(N)ncnc21)OCOC(=O)C(C)(C)C
InChI
InChI=1S/C20H32N5O8P/c1-19(2,3)17(26)30-11-32-34(28,33-12-31-18(27)20(4,5)6)13-29-8-7-25-10-24-14-15(21)22-9-23-16(14)25/h9-10H,7-8,11-13H2,1-6H3,(H2,21,22,23)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H32N5O8P
Molecular Weight 501.48
AlogP 2.7
Hydrogen Bond Acceptor 13.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 11.0
Polar Surface Area 166.98
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 34.0

Pharmacology

Mechanism of Action Action Reference
DNA polymerase/reverse transcriptase inhibitor INHIBITOR PubMed PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
BK polyomavirus
700 - - - -
Chlorocebus sabaeus
870 600 - - -
Hepatitis B virus
830-960 330-580 - - -
Homo sapiens
40-910 - - - -
Human herpesvirus 1 strain KOS
200-200 - - - -
Human herpesvirus 2 strain G
200 - - - -
Human immunodeficiency virus 1
45-180 - - - -
Human immunodeficiency virus 2
75 - - - -
Human immunodeficiency virus type 2 (ISOLATE ROD)
62 - - - -

Related Entries

Cross References

Resources Reference
ChEBI 31175
ChEMBL CHEMBL922
DrugBank DB00718
DrugCentral 88
FDA SRS U6Q8Z01514
Human Metabolome Database HMDB0014856
PharmGKB PA10005
PubChem 60871
SureChEMBL SCHEMBL29729
ZINC ZINC000003930376
CONTENTS