Daprodustat

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

Identification

Name
Daprodustat
Accession Number
DB11682
Type
Small Molecule
Groups
Investigational
Description

Daprodustat has been used in trials studying the other, treatment, and basic science of Anaemia, Wound Healing, Tendon Injuries, Surgical Procedures, and Vascular Disease, Peripheral.

Structure
Thumb
Synonyms
Not Available
External IDs
GSK-1278863 / GSK1278863
Categories
UNII
JVR38ZM64B
CAS number
960539-70-2
Weight
Average: 393.44
Monoisotopic: 393.189985601
Chemical Formula
C19H27N3O6
InChI Key
RUEYEZADQJCKGV-UHFFFAOYSA-N
InChI
InChI=1S/C19H27N3O6/c23-14(24)11-20-16(25)15-17(26)21(12-7-3-1-4-8-12)19(28)22(18(15)27)13-9-5-2-6-10-13/h12-13,15H,1-11H2,(H,20,25)(H,23,24)
IUPAC Name
2-[(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)formamido]acetic acid
SMILES
OC(=O)CNC(=O)C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O

Pharmacology

Indication
Not Available
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
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

References

General References
Not Available
External Links
PubChem Compound
91617630
PubChem Substance
347828049
ChemSpider
33427356
ChEMBL
CHEMBL3544988
ZINC
ZINC000231226004
Wikipedia
Daprodustat

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceAnemia1
1CompletedOtherAnemia2
1CompletedTreatmentAnemia5
1CompletedTreatmentTendon Injuries1
1CompletedTreatmentWound Healing1
1TerminatedOtherAnemia1
2CompletedBasic SciencePeripheral Vascular Disease Patient1
2CompletedTreatmentAnemia7
2CompletedTreatmentSurgical Procedures1
2RecruitingTreatmentAnemia3
2, 3CompletedTreatmentAnemia1
3Active Not RecruitingTreatmentAnemia4
3CompletedTreatmentAnemia2
3RecruitingTreatmentAnemia1

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 Solubility0.345 mg/mLALOGPS
logP1.48ALOGPS
logP1.4ChemAxon
logS-3.1ALOGPS
pKa (Strongest Acidic)0.35ChemAxon
pKa (Strongest Basic)-9.1ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area124.09 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity96.89 m3·mol-1ChemAxon
Polarizability40.18 Å3ChemAxon
Number of Rings3ChemAxon
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/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

Taxonomy

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
Barbituric acid derivatives / N-acyl ureas / Diazinanes / 1,3-dicarbonyl compounds / Dicarboximides / Secondary carboxylic acid amides / Monocarboxylic acids and derivatives / Carboxylic acids / Azacyclic compounds / Organopnictogen compounds
show 3 more
Substituents
N-acyl-alpha-amino acid / Barbiturate / N-acyl urea / Pyrimidone / Ureide / 1,3-diazinane / Pyrimidine / 1,3-dicarbonyl compound / Dicarboximide / Urea
show 16 more
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 14:39 / Updated on June 12, 2020 10:53

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