NAV

AV-101

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

Identification

Generic Name
AV-101
DrugBank Accession Number
DB12878
Background

AV-101 has been used in trials studying the treatment of Neuropathic Pain.

Type
Small Molecule
Groups
Investigational
Structure
 3D
Similar Structures
Weight
Average: 242.66
Monoisotopic: 242.0458199
Chemical Formula
C10H11ClN2O3
Synonyms
  • (2S)-2-amino-4-(2-amino-4-chlorophenyl)-4-oxobutanoic acid
  • 4-chlorokynurenine
  • L-4-chlorokynurenine
  • L-4-CL-KYN
External IDs
  • J578.071C

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/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 alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Carbonyl compounds
Direct Parent
Alkyl-phenylketones
Alternative Parents
Butyrophenones/L-alpha-amino acids/Aniline and substituted anilines/Aryl alkyl ketones/Benzoyl derivatives/Gamma-keto acids and derivatives/Chlorobenzenes/Beta-amino ketones/Aryl chlorides/Vinylogous amides
show 7 more
Substituents
Alkyl-phenylketone/Alpha-amino acid/Alpha-amino acid or derivatives/Amine/Amino acid/Amino acid or derivatives/Aniline or substituted anilines/Aromatic homomonocyclic compound/Aryl alkyl ketone/Aryl chloride
show 23 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
77XLH9L40B
CAS number
153152-32-0
InChI Key
HQLHZNDJQSRKDT-QMMMGPOBSA-N
InChI
InChI=1S/C10H11ClN2O3/c11-5-1-2-6(7(12)3-5)9(14)4-8(13)10(15)16/h1-3,8H,4,12-13H2,(H,15,16)/t8-/m0/s1
IUPAC Name
(2S)-2-amino-4-(2-amino-4-chlorophenyl)-4-oxobutanoic acid
SMILES
N[C@@H](CC(=O)C1=C(N)C=C(Cl)C=C1)C(O)=O

References

一般引用
Not Available
PubChem Compound
9859632
PubChem Substance
347829034
ChemSpider
8035331
ZINC
ZINC000006092007
Wikipedia
4-Chlorokynurenine

Clinical Trials

Clinical TrialsLearn More" title="" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count
3 Recruiting Treatment Pulmonary Arterial Hypertension (PAH) 1
2 Completed Treatment Major Depressive Disorder (MDD) 1
2 Not Yet Recruiting Treatment Drug Induced Dyskinesia/L-Dopa Causing Adverse Effects in Therapeutic Use/Parkinson's Disease (PD) 1
2, 3 Recruiting Treatment Pulmonary Arterial Hypertension (PAH) 1
1 Completed Treatment Neuropathic Pain 1
1 Recruiting Basic Science Drug Drug Interaction (DDI) 1
1, 2 Completed Basic Science Healthy Subjects (HS) 1

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
Property Value Source
Water Solubility 0.634 mg/mL ALOGPS
logP -1.3 ALOGPS
logP -1.3 Chemaxon
logS -2.6 ALOGPS
pKa (Strongest Acidic) 0.92 Chemaxon
pKa (Strongest Basic) 8.96 Chemaxon
Physiological Charge 0 Chemaxon
Hydrogen Acceptor Count 5 Chemaxon
Hydrogen Donor Count 3 Chemaxon
Polar Surface Area 106.41 Å2 Chemaxon
Rotatable Bond Count 4 Chemaxon
Refractivity 59.86 m3·mol-1 Chemaxon
Polarizability 23.12 Å3 Chemaxon
Number of Rings 1 Chemaxon
Bioavailability 1 Chemaxon
Rule of Five Yes Chemaxon
Ghose Filter No Chemaxon
Veber's Rule No Chemaxon
医学博士DR-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

Drug created at October 21, 2016 00:58 / Updated at June 12, 2020 16:53