CHLOROGUANIDE HYDROCHLORIDE

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Synonyms
Status
Molecule Category Salt-form
UNII R71Y86M0WT
EPA CompTox DTXSID7047776

Structure

InChI Key SARMGXPVOFNNNG-UHFFFAOYSA-N
Smiles 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

Mechanism of Action Action Reference
Dihydrofolate reductase inhibitor 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
- - - - 77.71-114.76
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 77.71-114.76

Cross References

Resources Reference
ChEMBL CHEMBL1201059
FDA SRS R71Y86M0WT
SureChEMBL SCHEMBL218859
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