DESLORATADINE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC R06AX27
UNII FVF865388R
EPA CompTox DTXSID1044196

Structure

InChI Key JAUOIFJMECXRGI-UHFFFAOYSA-N
Smiles Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1
InChI
InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H19ClN2
Molecular Weight 310.83
AlogP 4.02
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 24.92
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
Histamine H1 receptor antagonist ANTAGONIST DailyMed
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
- 1.84 24 0.97-1.585 47.42-80.44
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - - - 47.42-80.44
Homo sapiens
- 1.84 24 0.97-1.585 -
Mus musculus
- - - - 35.6

Target Conservation

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

Related Entries

Cross References

Resources Reference
ChEBI 291342
ChEMBL CHEMBL1172
DrugBank DB00967
DrugCentral 814
FDA SRS FVF865388R
Human Metabolome Database HMDB0015102
Guide to Pharmacology 7157
KEGG D03693
PharmGKB PA164776964
PubChem 124087
SureChEMBL SCHEMBL4425
ZINC ZINC000000001261
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