FEXOFENADINE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC R06AX26
UNII E6582LOH6V
EPA CompTox DTXSID00861411

Structure

InChI Key RWTNPBWLLIMQHL-UHFFFAOYSA-N
Smiles CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChI
InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H39NO4
Molecular Weight 501.67
AlogP 5.51
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 10.0
Polar Surface Area 81.0
Molecular species ZWITTERION
Aromatic Rings 3.0
Heavy Atoms 37.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Other ion channel Pore-forming toxins (proteins and peptides)
- - - - 0
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 3
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 15-78 - 27 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - -5.8-28.9
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 15-78 - 27 -5.8-28.9
Mus musculus
- - - - 6-70
Oryctolagus cuniculus
- - - - 0

Related Entries

Environmental Exposure

Environmental Exposure Map
Countries
USA

Cross References

Resources Reference
ChEBI 5050
ChEMBL CHEMBL914
DrugBank DB00950
DrugCentral 1170
FDA SRS E6582LOH6V
Human Metabolome Database HMDB0005030
Guide to Pharmacology 4819
KEGG C06999
PharmGKB PA449621
PubChem 3348
SureChEMBL SCHEMBL4900
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