Pyronaridine

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

Identification

Name
Pyronaridine
Accession Number
DB12975
Type
Small Molecule
Groups
Investigational
Description

Pyronaridine has been investigated for the treatment of Malaria.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
TD3P7Q3SG6
CAS number
74847-35-1
Weight
Average: 518.06
Monoisotopic: 517.224453
Chemical Formula
C29H32ClN5O2
InChI Key
DJUFPMUQJKWIJB-UHFFFAOYSA-N
InChI
InChI=1S/C29H32ClN5O2/c1-37-26-9-8-24-28(33-26)27(23-7-6-21(30)16-25(23)32-24)31-22-14-19(17-34-10-2-3-11-34)29(36)20(15-22)18-35-12-4-5-13-35/h6-9,14-16,36H,2-5,10-13,17-18H2,1H3,(H,31,32)
IUPAC Name
4-({7-chloro-2-methoxybenzo[b]1,5-naphthyridin-10-yl}amino)-2,6-bis[(pyrrolidin-1-yl)methyl]phenol
SMILES
COC1=NC2=C(NC3=CC(CN4CCCC4)=C(O)C(CN4CCCC4)=C3)C3=CC=C(Cl)C=C3N=C2C=C1

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
DrugInteraction
AcepromazineThe risk or severity of QTc prolongation can be increased when Pyronaridine is combined with Acepromazine.
AceprometazineThe risk or severity of QTc prolongation can be increased when Pyronaridine is combined with Aceprometazine.
AcetophenazineThe risk or severity of QTc prolongation can be increased when Pyronaridine is combined with Acetophenazine.
AlimemazineThe risk or severity of QTc prolongation can be increased when Pyronaridine is combined with Alimemazine.
ArtemetherThe risk or severity of QTc prolongation can be increased when Pyronaridine is combined with Artemether.
BL-1020The risk or severity of QTc prolongation can be increased when Pyronaridine is combined with BL-1020.
ButaperazineThe risk or severity of QTc prolongation can be increased when Pyronaridine is combined with Butaperazine.
ChlorproethazineThe risk or severity of QTc prolongation can be increased when Pyronaridine is combined with Chlorproethazine.
ChlorpromazineThe risk or severity of QTc prolongation can be increased when Pyronaridine is combined with Chlorpromazine.
CyamemazineThe risk or severity of QTc prolongation can be increased when Pyronaridine is combined with Cyamemazine.
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
5485198
PubChem Substance
347829115
ChemSpider
10647812
BindingDB
53353
ChEBI
135951
ChEMBL
CHEMBL35228
Wikipedia
Pyronaridine
ATC Codes
P01BF06 — Artesunate and pyronaridine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentPlasmodium Infections2
2CompletedTreatmentPlasmodium Falciparum Malaria1
4RecruitingTreatmentPlasmodium Falciparum Malaria (Drug Resistant)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 Solubility0.0132 mg/mLALOGPS
logP5.78ALOGPS
logP4.22ChemAxon
logS-4.6ALOGPS
pKa (Strongest Acidic)7.96ChemAxon
pKa (Strongest Basic)10.08ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area73.75 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity147.74 m3·mol-1ChemAxon
Polarizability57.85 Å3ChemAxon
Number of Rings6ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
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 4-aminoquinolines. These are organic compounds containing an amino group attached to the 4-position of a quinoline ring system.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Quinolines and derivatives
Sub Class
Aminoquinolines and derivatives
Direct Parent
4-aminoquinolines
Alternative Parents
Chloroquinolines / Naphthyridines / p-Aminophenols / Aniline and substituted anilines / Phenylmethylamines / Benzylamines / Alkyl aryl ethers / Aminopyridines and derivatives / Aralkylamines / Primary aromatic amines
show 8 more
Substituents
4-aminoquinoline / Haloquinoline / Chloroquinoline / Naphthyridine / P-aminophenol / Aminophenol / Benzylamine / Aniline or substituted anilines / Phenylmethylamine / Alkyl aryl ether
show 26 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 19:44 / Updated on November 02, 2018 07:32