MESNA

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Trade Names
Synonyms
Status
Molecule Category Mixture
ATC R05CB05 V03AF01
UNII NR7O1405Q9
EPA CompTox DTXSID1020809

Structure

InChI Key ZNEWHQLOPFWXOF-UHFFFAOYSA-N
Smiles O=S(=O)(O)CCS
InChI
InChI=1S/C2H6O3S2/c3-7(4,5)2-1-6/h6H,1-2H2,(H,3,4,5)

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H6O3S2
Molecular Weight 142.2
AlogP -0.2
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 54.37
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 7.0

Pharmacology

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
- - - - 95.36-97.81
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 95.36-97.81

Cross References

Resources Reference
ChEBI 31824
ChEMBL CHEMBL975
FDA SRS NR7O1405Q9
PubChem 23662354
SureChEMBL SCHEMBL7993
ChEBI 17905
ChEMBL CHEMBL1098319
DrugBank DB09110
DrugCentral 1711
FDA SRS VHD28S0H7F
Human Metabolome Database HMDB0003745
KEGG C03576
PDB COM
PubChem 23662354
SureChEMBL SCHEMBL80705
ZINC ZINC000003831040
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