CHLORMEZANONE

Search structure
Trade Names:
Synonyms:
Status: Approved (1960) Withdrawn (1996)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: M03BB02
UNII: C14WB33Y0S

Structure
InChI Key WEQAYVWKMWHEJO-UHFFFAOYSA-N
Smile 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
Hydrogen Bond Donor 0.0
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

Related Entries

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
100.0

Cross References

Resources Reference
CAS NUMBER 80-77-3
ChEBI 3619
ChEMBL CHEMBL1200714
DrugBank DB01178
DrugCentral 603
EPA CompTox DTXSID3022798
FDA SRS C14WB33Y0S
Human Metabolome Database HMDB0015309
Guide to Pharmacology 7323
PharmGKB PA448939
PubChem 2717
SureChEMBL SCHEMBL217864
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