CHLORMEZANONE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC M03BB02
UNII C14WB33Y0S
EPA CompTox DTXSID3022798

Structure

InChI Key WEQAYVWKMWHEJO-UHFFFAOYSA-N
Smiles CN1C(=O)CCS(=O)(=O)C1c1ccc(Cl)cc1
InChI
InChI=1S/C11H12ClNO3S/c1-13-10(14)6-7-17(15,16)11(13)8-2-4-9(12)5-3-8/h2-5,11H,6-7H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H12ClNO3S
Molecular Weight 273.74
AlogP 1.62
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 54.45
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 17.0

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
- - - - 92-97.47
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 92-97.47

Cross References

Resources Reference
ChEBI 3619
ChEMBL CHEMBL1200714
DrugBank DB01178
DrugCentral 603
FDA SRS C14WB33Y0S
Human Metabolome Database HMDB0015309
Guide to Pharmacology 7323
PharmGKB PA448939
PubChem 2717
SureChEMBL SCHEMBL217864
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