CHLOROGUANIDE

Search structure
Synonyms:
Status: Approved (2000)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: S61K3P7B2V

Structure
InChI Key SSOLNOMRVKKSON-UHFFFAOYSA-N
Smile CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1
InChI
InChI=1S/C11H16ClN5/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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H16ClN5
Molecular Weight 253.74
AlogP 2.21
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 17.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Trace amine receptor
5400 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Malaria 4 D008288 ClinicalTrials
Malaria, Falciparum 3 D016778 ClinicalTrials
Gastroesophageal Reflux 1 D005764 ClinicalTrials

Cross References

Resources Reference
ChEBI 8455
ChEMBL CHEMBL1377
DrugBank DB01131
DrugCentral 2282
EPA CompTox DTXSID3022794
FDA SRS S61K3P7B2V
Human Metabolome Database HMDB0015263
Guide to Pharmacology 9676
KEGG C07631
PharmGKB PA451124
SureChEMBL SCHEMBL16894670
ZINC ZINC000095452610
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