NAV

Atevirdine

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

Identification

Generic Name
Atevirdine
DrugBank Accession Number
DB12264
Background

Atevirdine has been used in trials studying the treatment of HIV Infections.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 379.464
Monoisotopic: 379.200825065
Chemical Formula
C21H25N5O2
Synonyms
  • Atevirdine
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" 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.
DrugInteraction
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interactions in your software
Adenovirus type 7 vaccine liveThe therapeutic efficacy of Adenovirus type 7 vaccine live can be decreased when used in combination with Atevirdine.
Anthrax vaccineThe therapeutic efficacy of Anthrax vaccine can be decreased when used in combination with Atevirdine.
Bacillus calmette-guerin substrain connaught live antigenThe therapeutic efficacy of Bacillus calmette-guerin substrain connaught live antigen can be decreased when used in combination with Atevirdine.
Bacillus calmette-guerin substrain russian BCG-I live antigenThe therapeutic efficacy of Bacillus calmette-guerin substrain russian BCG-I live antigen can be decreased when used in combination with Atevirdine.
Bacillus calmette-guerin substrain tice live antigenThe therapeutic efficacy of Bacillus calmette-guerin substrain tice live antigen can be decreased when used in combination with Atevirdine.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Atevirdine MesylateA948D8673W138540-32-6HKPKBPALSLUFFM-UHFFFAOYSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazinanes
Sub Class
Piperazines
Direct Parent
Pyridinylpiperazines
Alternative Parents
N-arylpiperazines / Indolecarboxamides and derivatives / Indoles / 2-heteroaryl carboxamides / Pyrrole carboxamides / Anisoles / Dialkylarylamines / Alkyl aryl ethers / Secondary alkylarylamines / Aminopyridines and derivatives
show 9 more
Substituents
2-heteroaryl carboxamide / Alkyl aryl ether / Amine / Amino acid or derivatives / Aminopyridine / Anisole / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Carboxamide group
show 26 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
N24015WC6D
CAS number
136816-75-6
InChI Key
UCPOMLWZWRTIAA-UHFFFAOYSA-N
InChI
InChI=1S/C21H25N5O2/c1-3-22-18-5-4-8-23-20(18)25-9-11-26(12-10-25)21(27)19-14-15-13-16(28-2)6-7-17(15)24-19/h4-8,13-14,22,24H,3,9-12H2,1-2H3
IUPAC Name
N-ethyl-2-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]pyridin-3-amine
SMILES
CCNC1=CC=CN=C1N1CCN(CC1)C(=O)C1=CC2=CC(OC)=CC=C2N1

References

General References
Not Available
PubChem Compound
60848
PubChem Substance
347828536
ChemSpider
54835
BindingDB
1437
ChEMBL
CHEMBL280527
ZINC
ZINC000000597817
Wikipedia
Atevirdine

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
2CompletedTreatmentHuman Immunodeficiency Virus (HIV) Infections1
1CompletedTreatmentHuman Immunodeficiency Virus (HIV) Infections2
Not AvailableCompletedTreatmentHuman Immunodeficiency Virus (HIV) Infections1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0382 mg/mLALOGPS
logP2.93ALOGPS
logP2.08Chemaxon
logS-4ALOGPS
pKa (Strongest Acidic)14.5Chemaxon
pKa (Strongest Basic)6.88Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area73.49 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity112 m3·mol-1Chemaxon
Polarizability42.8 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0009000000-f92602a854771a492af3
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0019000000-5f7c303589bacbaab4ae
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0019000000-bb342d09d02d613af2db
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fb9-0009000000-9fcbce57542a75784fe0
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udj-0905000000-41152bb52921843257b2
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-03gi-0942000000-05bae4499b228c5e5923
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]-217.4102985
predicted
DarkChem Lite v0.1.0
[M-H]-185.50488
predicted
DeepCCS 1.0 (2019)
[M+H]+217.3699985
predicted
DarkChem Lite v0.1.0
[M+H]+187.8629
predicted
DeepCCS 1.0 (2019)
[M+Na]+217.1239985
predicted
DarkChem Lite v0.1.0
[M+Na]+194.2272
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:45 / Updated at February 21, 2021 18:53