Chlorproguanil

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

Identification

Name
Chlorproguanil
Accession Number
DB12314
Type
Small Molecule
Groups
Investigational
Description

Chlorproguanil has been used in trials studying the treatment of MALARIA.

Structure
Thumb
Synonyms
Not Available
Product Ingredients
IngredientUNIICASInChI Key
Chlorproguanil Hydrochloride6T04V14CU96001-93-0SVJMILFDDBKCGG-UHFFFAOYSA-N
Categories
UNII
8O3249M729
CAS number
537-21-3
Weight
Average: 288.18
Monoisotopic: 287.0704509
Chemical Formula
C11H15Cl2N5
InChI Key
ISZNZKHCRKXXAU-UHFFFAOYSA-N
InChI
InChI=1S/C11H15Cl2N5/c1-6(2)16-10(14)18-11(15)17-7-3-4-8(12)9(13)5-7/h3-6H,1-2H3,(H5,14,15,16,17,18)
IUPAC Name
1-[N'-(3,4-dichlorophenyl)carbamimidamido]-N-(propan-2-yl)methanimidamide
SMILES
CC(C)NC(=N)NC(=N)NC1=CC=C(Cl)C(Cl)=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 serum concentration of Acepromazine can be increased when it is combined with Chlorproguanil.
AceprometazineThe serum concentration of Aceprometazine can be increased when it is combined with Chlorproguanil.
AlimemazineThe risk or severity of QTc prolongation can be increased when Chlorproguanil is combined with Alimemazine.
ArtemetherThe risk or severity of QTc prolongation can be increased when Chlorproguanil is combined with Artemether.
BL-1020The serum concentration of BL-1020 can be increased when it is combined with Chlorproguanil.
ChlorproethazineThe serum concentration of Chlorproethazine can be increased when it is combined with Chlorproguanil.
ChlorpromazineThe risk or severity of QTc prolongation can be increased when Chlorproguanil is combined with Chlorpromazine.
DapsoneThe risk or severity of adverse effects can be increased when Chlorproguanil is combined with Dapsone.
FluphenazineThe risk or severity of QTc prolongation can be increased when Chlorproguanil is combined with Fluphenazine.
LumefantrineThe risk or severity of QTc prolongation can be increased when Chlorproguanil is combined with Lumefantrine.
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
9571037
PubChem Substance
347828579
ChemSpider
20950
ChEBI
135192
ChEMBL
CHEMBL1213553
PharmGKB
PA165857067
Wikipedia
Chlorproguanil

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3TerminatedTreatmentPlasmodium 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 Solubility0.0808 mg/mLALOGPS
logP2.88ALOGPS
logP2.99ChemAxon
logS-3.6ALOGPS
pKa (Strongest Basic)10ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area83.79 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity96.46 m3·mol-1ChemAxon
Polarizability28.44 Å3ChemAxon
Number of Rings1ChemAxon
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

Taxonomy

Description
This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Halobenzenes
Direct Parent
Dichlorobenzenes
Alternative Parents
Biguanides / Aryl chlorides / Propargyl-type 1,3-dipolar organic compounds / Carboximidamides / Organopnictogen compounds / Organochlorides / Imines / Hydrocarbon derivatives
Substituents
1,2-dichlorobenzene / Biguanide / Aryl chloride / Aryl halide / Guanidine / Organic 1,3-dipolar compound / Propargyl-type 1,3-dipolar organic compound / Carboximidamide / Organohalogen compound / Imine
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:55 / Updated on August 02, 2018 06:37