NAV

Vadadustat

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

Identification

Name
Vadadustat
Accession Number
DB12255
Description

Vadadustat has been used in trials studying the treatment of Anemia and Non-dialysis-dependent Chronic Kidney Disease.

Type
Small Molecule
Groups
Investigational
Structure
Thumb
3D
Similar Structures
Weight
Average: 306.7
Monoisotopic: 306.0407345
Chemical Formula
C14H11ClN2O4
Synonyms
  • Vadadustat
External IDs
  • Akb 6548
  • AKB-6548
  • B-506
  • B506
  • PG-1016548
  • PG1016548

Pharmacology

Pharmacology
Accelerate your drug discovery research with the industry’s only fully connected ADMET dataset, ideal for:
Machine Learning
Data Science
Drug Discovery
Accelerate your drug discovery research with our fully connected ADMET dataset
Learn more
Indication
Not Available
Contraindications & Blackbox Warnings
Contraindications
Contraindications & Blackbox Warnings
With our commercial data, access important information on dangerous risks, contraindications, and adverse effects.
Learn more
Our Blackbox Warnings cover Risks, Contraindications, and Adverse Effects
Learn more
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
Medicalerrors
Reduce medical errors
and improve treatment outcomes with our comprehensive & structured data on drug adverse effects.
Learn more
Reduce medical errors & improve treatment outcomes with our adverse effects data
Learn more
Toxicity
Not Available
Affected organisms
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 n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
N-acyl-alpha amino acids
Alternative Parents
Phenylpyridines / Pyridinecarboxylic acids and derivatives / 2-heteroaryl carboxamides / Chlorobenzenes / Hydroxypyridines / Aryl chlorides / Vinylogous acids / Heteroaromatic compounds / Secondary carboxylic acid amides / Azacyclic compounds
show 7 more
Substituents
2-heteroaryl carboxamide / 3-phenylpyridine / Aromatic heteromonocyclic compound / Aryl chloride / Aryl halide / Azacycle / Benzenoid / Carbonyl group / Carboxamide group / Carboxylic acid
show 20 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Chemical Identifiers

UNII
I60W9520VV
CAS number
1000025-07-9
InChI Key
JGRXMPYUTJLTKT-UHFFFAOYSA-N
InChI
InChI=1S/C14H11ClN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20)
IUPAC Name
2-{[5-(3-chlorophenyl)-3-hydroxypyridin-2-yl]formamido}acetic acid
SMILES
OC(=O)CNC(=O)C1=C(O)C=C(C=N1)C1=CC(Cl)=CC=C1

References

General References
Not Available
PubChem Compound
23634441
PubChem Substance
347828530
ChemSpider
34958379
BindingDB
107704
ChEMBL
CHEMBL3646221
ZINC
ZINC000117532869
PDBe Ligand
A1Z
Wikipedia
Vadadustat
PDB Entries
5opc / 5ox6

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedOtherHealthy Volunteers1
3CompletedTreatmentAnemia in Subjects With DD-CKD1
3CompletedTreatmentAnemia; Non-dialysis Dependent Chronic Kidney Disease1
3CompletedTreatmentAnemia; Peritoneal Dialysis Dependent Chronic Kidney Disease1
3CompletedTreatmentAnemia / Hemodialysis-dependent chronic kidney disease (HDD-CKD)1
3CompletedTreatmentAnemia / Non-dialysis-dependent Chronic Kidney Disease2
3CompletedTreatmentIron Deficiency Anemia caused by hemodialysis-dependent chronic kidney disease (HDD-CKD)2
3Not Yet RecruitingTreatmentAnemia Associated With Chronic Kidney Disease (CKD)1
3RecruitingTreatmentAnemia1
3WithdrawnTreatmentAnemia / Hemodialysis-dependent chronic kidney disease (HDD-CKD)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
PropertyValueSource
Water Solubility0.0436 mg/mLALOGPS
logP2.53ALOGPS
logP2.2ChemAxon
logS-3.8ALOGPS
pKa (Strongest Acidic)3.12ChemAxon
pKa (Strongest Basic)1.15ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area99.52 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity75.51 m3·mol-1ChemAxon
Polarizability29.63 Å3ChemAxon
Number of Rings2ChemAxon
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 GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Drug created on October 20, 2016 21:44 / Updated on February 21, 2021 18:53