CHLOROGUANIDE HYDROCHLORIDE

Search structure
Synonyms:
Status: Approved (2000)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: R71Y86M0WT

Structure
InChI Key SARMGXPVOFNNNG-UHFFFAOYSA-N
Smile CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1.Cl
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H17Cl2N5
Molecular Weight 290.2
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

Action Mechanism of Action Reference
INHIBITOR Dihydrofolate reductase inhibitor DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 115

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Malaria 4 D008288 ClinicalTrials
Anemia, Sickle Cell 1 D000755 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL1201059
EPA CompTox DTXSID7047776
FDA SRS R71Y86M0WT
SureChEMBL SCHEMBL218859
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