This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Adefovir
- DrugBank Accession Number
- DB13868
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Adefovir (DB13868)
- Weight
- Average: 273.1857
Monoisotopic: 273.062690409 - Chemical Formula
- C8H12N5O4P
- Synonyms
- 9-(2-(phosphonomethoxy)ethyl)adenine
- 9-(2-phosphonylmethoxyethyl)adenine
- Adéfovir
- Adefovir
- Adefovirum
- External IDs
- GS 0393
- GS-0393
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
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Not Available
- Mechanism of action
Target Actions Organism ADNA polymerase/reverse transcriptase inhibitorHBV-D - Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Drug Interaction Integrate drug-drug
interactions in your softwareAbacavir Adefovir may decrease the excretion rate of Abacavir which could result in a higher serum level. Aceclofenac The risk or severity of nephrotoxicity can be increased when Aceclofenac is combined with Adefovir. Acemetacin The risk or severity of nephrotoxicity can be increased when Acemetacin is combined with Adefovir. Acetaminophen Adefovir may decrease the excretion rate of Acetaminophen which could result in a higher serum level. Acetylsalicylic acid The risk or severity of nephrotoxicity can be increased when Acetylsalicylic acid is combined with Adefovir. Aclidinium Adefovir may decrease the excretion rate of Aclidinium which could result in a higher serum level. Acrivastine Adefovir may decrease the excretion rate of Acrivastine which could result in a higher serum level. Acyclovir The risk or severity of nephrotoxicity can be increased when Acyclovir is combined with Adefovir. Adefovir dipivoxil The risk or severity of nephrotoxicity can be increased when Adefovir dipivoxil is combined with Adefovir. Adenovirus type 7 vaccine live The therapeutic efficacy of Adenovirus type 7 vaccine live can be decreased when used in combination with Adefovir. 
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- Not Available
Categories
- Drug Categories
- Anti-Infective Agents
- Antiviral Agents
- Enzyme Inhibitors
- Hepatitis B Virus Nucleoside Analog Reverse Transcriptase Inhibitor
- Heterocyclic Compounds, Fused-Ring
- Nephrotoxic agents
- Nucleic Acid Synthesis Inhibitors
- Nucleoside Reverse Transcriptase Inhibitors
- Organophosphorus Compounds
- Purines
- Reverse Transcriptase Inhibitors
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as 6-aminopurines. These are purines that carry an amino group at position 6. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Imidazopyrimidines
- Sub Class
- Purines and purine derivatives
- Direct Parent
- 6-aminopurines
- Alternative Parents
- Aminopyrimidines and derivatives / N-substituted imidazoles / Imidolactams / Organic phosphonic acids / Heteroaromatic compounds / Azacyclic compounds / Primary amines / Organopnictogen compounds / Organophosphorus compounds / Organooxygen compounds show 2 more
- Substituents
- 6-aminopurine / Amine / Aminopyrimidine / Aromatic heteropolycyclic compound / Azacycle / Azole / Heteroaromatic compound / Hydrocarbon derivative / Imidazole / Imidolactam show 12 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 6GQP90I798
- CAS number
- 106941-25-7
- InChI Key
- SUPKOOSCJHTBAH-UHFFFAOYSA-N
- InChI
- InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)
- IUPAC Name
- {[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphonic acid
- SMILES
- NC1=C2N=CN(CCOCP(O)(O)=O)C2=NC=N1
References
- General References
- Not Available
- External Links
- PDB Entries
- 2g1a
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 4 Active Not Recruiting Treatment Viral Hepatitis B 1 4 Completed Treatment Compensated Chronic Hepatitis B 1 4 Completed Treatment Hepatitis B Associated Hepatocellular Carcinoma 1 4 Completed Treatment Hepatitis B Chronic Infection 5 4 Terminated Treatment Hepatitis B Chronic Infection 1 4 Unknown Status Treatment HBV-related Liver Cirrhosis 2 4 Unknown Status Treatment Hepatitis B Chronic Infection 4 4 Unknown Status Treatment Hepatitis B Chronic Infection / Hepatocellular Carcinoma 1 4 Unknown Status Treatment Hepatitis B Chronic Infection / Inadequate Response / Nucleos(t)Ide Analogues Treatment 1 4 Unknown Status Treatment Viral Hepatitis B 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 2.02 mg/mL ALOGPS logP -1.8 ALOGPS logP -3.9 Chemaxon logS -2.1 ALOGPS pKa (Strongest Acidic) 1.35 Chemaxon pKa (Strongest Basic) 3.75 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 136.38 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 63.12 m3·mol-1 Chemaxon Polarizability 23.56 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS Not Available Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Targets
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- Kind
- Protein
- Organism
- HBV-D
- Pharmacological action
- Yes
- Actions
- Inhibitor
- General Function
- Rna-dna hybrid ribonuclease activity
- Specific Function
- Multifunctional enzyme that converts the viral RNA genome into dsDNA in viral cytoplasmic capsids. This enzyme displays a DNA polymerase activity that can copy either DNA or RNA templates, and a ri...
- Gene Name
- P
- Uniprot ID
- P24024
- Uniprot Name
- Protein P
- Molecular Weight
- 93588.765 Da
References
- Kock J, Baumert TF, Delaney WE 4th, Blum HE, von Weizsacker F: Inhibitory effect of adefovir and lamivudine on the initiation of hepatitis B virus infection in primary tupaia hepatocytes. Hepatology. 2003 Dec;38(6):1410-8. [Article]
Drug created at July 07, 2017 02:58 / Updated at May 29, 2021 18:15