Molecular Identity
Adefovir
2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid
PubChem CID: 60172
Adefovir is a member of the class of phosphonic acids that is methylphosphonic acid in which one of the methyl hydrogens has been replaced by a 2-(6-amino-9H-purin-9-yl)ethoxy group. An inhibitor of HIV-1 reverse transcriptase, the bis(t-butoxycarbonyloxymethyl) ester (dipivoxil ester) prodrug is used to treat chronic hepatitis B viral infection. It has a role as an antiviral drug, a drug metabolite, a nephrotoxic agent, a HIV-1 reverse transcriptase inhibitor and a DNA synthesis inhibitor. It is a member of 6-aminopurines, an ether and a member of phosphonic acids. It is functionally related to an adenine. It is a conjugate acid of an adefovir(1-).
2D Structure
Properties
C8H12N5O4P
Molecular Formula
273.19
Molecular Weight
g/mol
273.0627
Exact Mass
Da
-2
XLogP
Drug-like (Lipinski: < 5)
136
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
8
H-Bond Acceptors
327
Complexity
SMILES
Canonical SMILES
SMILES: C1=NC(=C2C(=N1)N(C=N2)CCOCP(=O)(O)O)NIsomeric SMILES
SMILES: C1=NC(=C2C(=N1)N(C=N2)CCOCP(=O)(O)O)NSynonyms(20)
ADEFOVIR106941-25-7((2-(6-Amino-9H-purin-9-yl)ethoxy)methyl)phosphonic acidPMEA9-(2-Phosphonylmethoxyethyl)adenineGS-0393GS 03939-(2-(Phosphonomethoxy)ethyl)adenine2-(6-aminopurin-9-yl)ethoxymethylphosphonic acidGS 393DTXSID6046214DRG-0156N-(2-Phosphonylmethoxyethyl)adenine{[2-(6-Amino-9h-Purin-9-Yl)ethoxy]methyl}phosphonic AcidHSDB 8079
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Adefovir
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