Structure

InChI Key ISZNZKHCRKXXAU-UHFFFAOYSA-N
Smile CC(C)NC(=N)NC(=N)Nc1ccc(Cl)c(Cl)c1
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H15Cl2N5
Molecular Weight 288.18
AlogP 2.86
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 2.0
Polar Surface Area 83.79
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 18.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Malaria 3 D008288 ClinicalTrials
Malaria, Falciparum 3 D016778 ClinicalTrials
Malaria, Vivax 3 D016780 ClinicalTrials
Fever 3 D005334 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 537-21-3
ChEBI 135192
ChEMBL CHEMBL1213553
DrugBank DB12314
DrugCentral 620
EPA CompTox DTXSID5022807
FDA SRS 8O3249M729
PharmGKB PA165857067
PubChem 22323
SureChEMBL SCHEMBL19745866
ZINC ZINC000000001136