KETOTIFEN FUMARATE

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Trade Names
Synonyms
Status
Molecule Category Mixture
UNII HBD503WORO
EPA CompTox DTXSID30892970

Structure

InChI Key YNQQEYBLVYAWNX-WLHGVMLRSA-N
Smiles CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1.O=C(O)/C=C/C(=O)O
InChI
InChI=1S/C19H19NOS.C4H4O4/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19;5-3(6)1-2-4(7)8/h2-5,8,11H,6-7,9-10,12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H23NO5S
Molecular Weight 425.51
AlogP 4.01
Hydrogen Bond Acceptor 3.0
Polar Surface Area 20.31
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
Histamine H1 receptor antagonist ANTAGONIST ISBN
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 1 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 89.36-94.79
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - - - 37-38
Cricetulus griseus
- - - - 89.36-94.79
Homo sapiens
- 1 - - -
Mus musculus
- - - - 3-119
Plasmodium falciparum
- 794.33 - - -

Target Conservation

Protein: Histamine H1 receptor
Description: Histamine H1 receptor
Organism : Homo sapiens
P35367 ENSG00000196639

Cross References

Resources Reference
ChEBI 31750
ChEMBL CHEMBL1633
FDA SRS HBD503WORO
Guide to Pharmacology 7206
KEGG D08105
PubChem 5282408
SureChEMBL SCHEMBL8809
ZINC ZINC00004351
CONTENTS