NAV

Naxifylline

This drug entry is astuband has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Naxifylline
DrugBank Accession Number
DB06471
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
 3D
Similar Structures
Weight
Average: 343.427
Monoisotopic: 343.189591677
Chemical Formula
C19H25N3O3
Synonyms
  • 8-((2S,5,6-exo)-5,6-epoxy-2-norbonyl)-1,3-dipropylxanthine
  • Naxifylline
External IDs
  • BG9719
  • CVT-124

Pharmacology

Indication

Investigated for use/treatment in congestive heart failure.

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Contraindications & Blackbox Warnings
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避免致命的药物不良事件和即兴表演ve clinical decision support.
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Pharmacodynamics

Not Available

Mechanism of action
Target Actions Organism
UAdenosine receptor A1
antagonist
 Humans
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/ADRsBrowse all" title="" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug InteractionsLearn More" title="" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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 byClassyfire
Description
This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Prenol lipids
Sub Class
Monoterpenoids
Direct Parent
Aromatic monoterpenoids
Alternative Parents
Imidazopyridines/Imidazopiperidines/Aryl alkyl ketones/Oxepanes/Oxanes/1,3-dicarbonyl compounds/Imidolactams/Vinylogous amides/Tertiary carboxylic acid amides/Heteroaromatic compounds
show 9 more
Substituents
1,3-dicarbonyl compound/Aromatic heteropolycyclic compound/Aromatic monoterpenoid/Aryl alkyl ketone/Aryl ketone/Azacycle/Azole/Carbonyl group/Carboxamide group/Carboxylic acid derivative
show 22 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
B3G45WC37L
CAS number
166374-49-8
InChI Key
NJYNSYQBNSDGIQ-RDDCQWBRSA-N
InChI
InChI=1S/C19H25N3O3/c1-3-5-10-14(23)13-18(22(6-4-2)19(10)24)21-17(20-13)12-8-9-7-11(12)16-15(9)25-16/h9-12,15-16H,3-8H2,1-2H3,(H,20,21)/t9-,10?,11+,12+,15-,16+/m1/s1
IUPAC Name
2-[(1S,2R,4S,5S,6S)-3-oxatricyclo[3.2.1.0^{2,4}]octan-6-yl]-4,6-dipropyl-3H,4H,5H,6H,7H-imidazo[4,5-b]pyridine-5,7-dione
SMILES
[H][C@]12O[C@@]1([H])[C@@]1([H])C[C@]2([H])C[C@@H]1C1=NC2=C(N1)N(CCC)C(=O)C(CCC)C2=O

References

一般引用
Not Available
PubChem Compound
70691449
PubChem Substance
347827774
ChemSpider
28528829
ChEMBL
CHEMBL2107805

Clinical Trials

Clinical TrialsLearn More" title="" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count

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 0.5 mg/mL ALOGPS
logP 1.98 ALOGPS
logP 2.17 Chemaxon
logS -2.8 ALOGPS
pKa (Strongest Acidic) 7.79 Chemaxon
pKa (Strongest Basic) 2.58 Chemaxon
Physiological Charge 0 Chemaxon
Hydrogen Acceptor Count 4 Chemaxon
Hydrogen Donor Count 1 Chemaxon
Polar Surface Area 78.59 Å2 Chemaxon
Rotatable Bond Count 5 Chemaxon
Refractivity 90.73 m3·mol-1 Chemaxon
Polarizability 38.14 Å3 Chemaxon
Number of Rings 5 Chemaxon
Bioavailability 1 Chemaxon
Rule of Five Yes Chemaxon
Ghose Filter Yes Chemaxon
Veber's Rule No Chemaxon
MDDR-like规则 No Chemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Spectrum Spectrum Type Splash Key
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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Details 1.Adenosine receptor A1
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
Actions
Antagonist
General Function
Purine nucleoside binding
Specific Function
Receptor for adenosine. The activity of this receptor is mediated by G proteins which inhibit adenylyl cyclase.
Gene Name
ADORA1
Uniprot ID
P30542
Uniprot Name
Adenosine receptor A1
分子量
36511.325 Da

Drug created at March 19, 2008 16:34 / Updated at February 21, 2021 18:52