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Amdoxovir

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

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Identification

Generic Name
Amdoxovir
DrugBank Accession Number
DB06619
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 252.234
Monoisotopic: 252.09708827
Chemical Formula
C9H12N6O3
Synonyms
  • Amdoxovir
  • beta-D-2,6-Diaminopurine-dioxolane
  • DAPD
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Pharmacology

Indication

Investigated for use/treatment in HIV infection and acquired immune deficiency syndrome (AIDS) and aids-related infections.

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
AGag-Pol polyprotein
modulator
UReverse transcriptase/RNaseH
inhibitor
Human immunodeficiency virus 1
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
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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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
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 / Heteroaromatic compounds / 1,3-dioxolanes / Oxacyclic compounds / Azacyclic compounds / Acetals / Primary amines / Primary alcohols
show 2 more
Substituents
6-aminopurine / Acetal / Alcohol / Amine / Aminopyrimidine / Aromatic heteropolycyclic compound / Azacycle / Azole / Heteroaromatic compound / Hydrocarbon derivative
show 13 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
54I81H0M9C
CAS number
145514-04-1
InChI Key
RLAHNGKRJJEIJL-RFZPGFLSSA-N
InChI
InChI=1S/C9H12N6O3/c10-7-6-8(14-9(11)13-7)15(3-12-6)4-2-17-5(1-16)18-4/h3-5,16H,1-2H2,(H4,10,11,13,14)/t4-,5-/m1/s1
IUPAC Name
[(2R,4R)-4-(2,6-diamino-9H-purin-9-yl)-1,3-dioxolan-2-yl]methanol
SMILES
NC1=NC(N)=C2N=CN([C@H]3CO[C@@H](CO)O3)C2=N1

References

General References
Not Available
ChemSpider
110576
ChEMBL
CHEMBL458876
ZINC
ZINC000003919810
Wikipedia
Amdoxovir

Clinical Trials

Clinical Trials
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PhaseStatusPurposeConditionsCountStart DateWhy Stopped100+ additional columns
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2CompletedTreatmentHuman Immunodeficiency Virus (HIV) Infections1somestatusstop reasonjust information to hide
2TerminatedTreatmentHuman Immunodeficiency Virus (HIV) Infections1somestatusstop reasonjust information to hide
2WithdrawnTreatmentHuman Immunodeficiency Virus (HIV) Infections1somestatusstop reasonjust information to hide
1, 2CompletedTreatmentHuman Immunodeficiency Virus (HIV) Infections2somestatusstop reasonjust information to hide

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
PropertyValueSource
Water Solubility9.68 mg/mLALOGPS
logP-0.91ALOGPS
logP-0.76Chemaxon
logS-1.4ALOGPS
pKa (Strongest Acidic)13.85Chemaxon
pKa (Strongest Basic)5.81Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area134.33 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity62.03 m3·mol-1Chemaxon
Polarizability23.97 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-00dl-4950000000-b8862f3873d4ac62e432
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0390000000-c4a1c64d161e25c95a64
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-002g-0910000000-a8dd9c5732863530f2e5
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0900000000-045c6a3f272b4c88fbd7
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0zfr-0910000000-d36359b9d28d29a83132
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-1900000000-9326cb1faf51f356cbbf
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-05gj-0900000000-4afef25962f725eafeb8
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-156.38289
predicted
DeepCCS 1.0 (2019)
[M+H]+158.74088
predicted
DeepCCS 1.0 (2019)
[M+Na]+164.83403
predicted
DeepCCS 1.0 (2019)

Targets

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Details1. Gag-Pol polyprotein
Kind
Protein
Organism
Not Available
Pharmacological action
Yes
Actions
Modulator
General Function
Zinc ion binding
Specific Function
Gag-Pol polyprotein: Mediates, with Gag polyrotein, the essential events in virion assembly, including binding the plasma membrane, making the protein-protein interactions necessary to create spher...
Gene Name
gag-pol
Uniprot ID
P03366
Uniprot Name
Gag-Pol polyprotein
Molecular Weight
163287.51 Da
References
  1. Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Details2. Reverse transcriptase/RNaseH
Kind
Protein
Organism
Human immunodeficiency virus 1
Pharmacological action
Unknown
Actions
Inhibitor
General Function
Rna-dna hybrid ribonuclease activity
Specific Function
Not Available
Gene Name
pol
Uniprot ID
Q72547
Uniprot Name
Reverse transcriptase/RNaseH
Molecular Weight
65223.615 Da
References
  1. De Clercq E: Emerging anti-HIV drugs. Expert Opin Emerg Drugs. 2005 May;10(2):241-73. [Article]

Drug created at March 19, 2008 16:41 / Updated at August 26, 2024 19:23