Proguanil hydrochlorideProduct ingredient for Proguanil

Name
Proguanil hydrochloride
Drug Entry
Proguanil

Proguanil is a prophylactic antimalarial drug, which works by stopping the malaria parasite, Plasmodium falciparum and Plasmodium vivax, from reproducing once it is in the red blood cells. It does this by inhibiting the enzyme, dihydrofolate reductase, which is involved in the reproduction of the parasite.

Accession Number
DBSALT001187
Structure
Thumb
Synonyms
Proguanil HCl
UNII
R71Y86M0WT
CAS Number
637-32-1
Weight
Average: 290.19
Monoisotopic: 289.086101
Chemical Formula
C11H17Cl2N5
InChI Key
SARMGXPVOFNNNG-UHFFFAOYSA-N
InChI
InChI=1S/C11H16ClN5.ClH/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9;/h3-7H,1-2H3,(H5,13,14,15,16,17);1H
IUPAC Name
1-[N'-(4-chlorophenyl)carbamimidamido]-N-(propan-2-yl)methanimidamide hydrochloride
SMILES
Cl.CC(C)NC(=N)NC(=N)NC1=CC=C(Cl)C=C1
ChemSpider
4514300
ChEMBL
CHEMBL1201059
Wikipedia
Proguanil
Predicted Properties
PropertyValueSource
Water Solubility0.116 mg/mLALOGPS
logP2.29ALOGPS
logP2.38ChemAxon
logS-3.3ALOGPS
pKa (Strongest Basic)10.4ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area83.79 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity91.65 m3·mol-1ChemAxon
Polarizability26.75 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon