NAV

Chlorproguanil

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

Identification

Generic Name
Chlorproguanil
DrugBank Accession Number
DB12314
Background

Chlorproguanil has been used in trials studying the treatment of MALARIA. It is a dichloro-derivative of chloroguanide.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 288.18
Monoisotopic: 287.0704509
Chemical Formula
C11H15Cl2N5
Synonyms
  • Chlorproguanil
  • Chlorproguanilum
  • Clorproguanil
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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/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.
DrugInteraction
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AcetophenazineThe risk or severity of QTc prolongation can be increased when Chlorproguanil is combined with Acetophenazine.
AlimemazineThe risk or severity of QTc prolongation can be increased when Chlorproguanil is combined with Alimemazine.
AmbroxolThe risk or severity of methemoglobinemia can be increased when Chlorproguanil is combined with Ambroxol.
ArtemetherThe risk or severity of QTc prolongation can be increased when Chlorproguanil is combined with Artemether.
ArticaineThe risk or severity of methemoglobinemia can be increased when Chlorproguanil is combined with Articaine.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Chlorproguanil hydrochloride6T04V14CU96001-93-0SVJMILFDDBKCGG-UHFFFAOYSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
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 / Aromatic homomonocyclic compound / Aryl chloride / Aryl halide / Biguanide / Carboximidamide / Guanidine / Hydrocarbon derivative / Imine / Organic 1,3-dipolar compound
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
8O3249M729
CAS number
537-21-3
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

References

General References
Not Available
PubChem Compound
9571037
PubChem Substance
347828579
ChemSpider
20950
ChEBI
135192
ChEMBL
CHEMBL1213553
ZINC
ZINC000000001136
PharmGKB
PA165857067
Wikipedia
Chlorproguanil

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4CompletedTreatmentMalaria caused by Plasmodium falciparum2
3CompletedNot AvailableMalaria / Malaria caused by plasmodium vivax1
3CompletedTreatmentFever / Malaria1
3CompletedTreatmentMalaria2
3CompletedTreatmentMalaria caused by Plasmodium falciparum2

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
Polarizability28.87 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-MSsplash10-01ox-9780000000-ee57aa36f1029f4c45cd
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0090000000-4624cc6537b5be5dafde
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0059-1590000000-95f5217afde18f5adc07
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-01p9-8390000000-bdb8d1575272ed4eaa8c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00lu-7900000000-b1ef9b96c64522a65eb9
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01p6-9300000000-e9ce725e4050fbc11cff
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0159-9300000000-c260f4c941b87cb9f870
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-171.38725
predicted
DeepCCS 1.0 (2019)
[M+H]+173.74525
predicted
DeepCCS 1.0 (2019)
[M+Na]+179.8384
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:55 / Updated at February 21, 2021 18:53