Desloratadine

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H19ClN2
Molecular Weight	310.821
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

ClC1=CC2=C(C=C1)C(=C3CCNCC3)C4=C(CC2)C=CC=N4

InChI

InChIKey=JAUOIFJMECXRGI-UHFFFAOYSA-N

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

HIDE SMILES / InChI

Molecular Formula	C19H19ClN2
Molecular Weight	310.821
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description

Desloratadine is an active, descarboethoxy metabolite of loratadine. It acts by selective inhibition of H1 histamine receptor and thus provides relief to patients with allergic rhinitis and chronic idiopathic urticaria. Desloratadine was approved by FDA and it is currently marketed under the name Clarinex (among the others).

CNS Activity

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Histamine H1 receptor 315	Antagonist 2,778		0.87 nM [Ki]

Conditions

Condition	Modality	Highest Phase	Product
Seasonal allergic rhinitis 64	Palliative	Approved 8,429	CLARINEX
Perennial allergic rhinitis 47	Palliative	Approved 8,429	CLARINEX
Chronic idiopathic urticaria 11	Palliative	Approved 8,429	CLARINEX

C_max

Value	Dose	Co-administered	Analyte	Population
4 ng/mL	5 mg 1 times / day steady-state, oral		DESLORATADINE plasma	Homo sapiens

AUC

Value	Dose	Co-administered	Analyte	Population
56.9 ng × h/mL	5 mg 1 times / day steady-state, oral		DESLORATADINE plasma	Homo sapiens

T_1/2

Value	Dose	Co-administered	Analyte	Population
27 h	5 mg 1 times / day steady-state, oral		DESLORATADINE plasma	Homo sapiens

F_unbound

Value	Dose	Co-administered	Analyte	Population
84.5%	5 mg 1 times / day steady-state, oral		DESLORATADINE plasma	Homo sapiens

Doses

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Dose	Population	Adverse events
1.25 mg 1 times / day steady, oral	unhealthy, 2-11 years	Disc. AE: Somnolence, Abdominal pain...
45 mg 1 times / day multiple, oral Highest studied dose	healthy, adult

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AEs

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AE	Significance	Dose	Population
Abdominal pain	1 patient Disc. AE	1.25 mg 1 times / day steady, oral	unhealthy, 2-11 years
Somnolence	1 patient Disc. AE	1.25 mg 1 times / day steady, oral	unhealthy, 2-11 years

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Overview

CYP3A4	CYP2C9	CYP2D6	hERG
substrate 1,737	inhibitor 1,767	substrate 1,217 inhibitor 1,852	inhibitor 1,612

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
CYP1A2 1,524 CYP2C8 911 CYP2C19 1,478 CYP2B6 810 CYP3A4/5 278 UGT1A1 204 UGT1A3 84 UGT1A4 77 UGT1A6 108 UGT1A9 116 UGT2B7 146 UGT2B10 25 UGT2B15 64 UGT2B17 18 UGT1A7 21 UGT1A8 36 UGT1A10 32 UGT2B4 19 P-gp 1,461	CYP1A2 1,054 CYP2B6 664 CYP1A1 349 CYP2C19 991 UGT2B10 127 P-gp 1,537

Drug as perpetrator

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Target	Modality	Activity
CYP1A2 1,692	inhibitor 3,277	no
CYP2C19 1,553	inhibitor 3,277	no
CYP2C8 965	inhibitor 3,277	no
CYP2C9 1,819	inhibitor 3,277	no
UGT1A1 254	inhibitor 3,277	no

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Drug as victim

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Target	Modality	Activity	Clinical evidence
CYP1A1 349	substrate 3,367	likely
CYP1A2 1,054	substrate 3,367	likely
CYP2B6 664	substrate 3,367	likely
CYP2C19 991	substrate 3,367	likely	no (pharmacogenomic study)
CYP2D6 1,217	substrate 3,367	likely	no (pharmacogenomic study)

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Tox targets

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Target	Modality	Activity	Metabolite	Clinical evidence
hERG 1,647	inhibitor 1,626

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Sourcing

Sourcing

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Vendor/Aggregator	ID	URL
ChEBI	CHEBI:291342	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:291342
ChemicalBook	CB3462564	https://www.chemicalbook.com/ChemicalProductProperty_EN_CB3462564
eMolecules	877481	https://www.emolecules.com/cgi-bin/more?vid=877481
MolPort	MolPort-000-883-875	https://www.molport.com/shop/molecule-link/MolPort-000-883-875
Selleck Chemicals	desloratadine	http://www.selleckchem.com/products/desloratadine.html

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PubMed

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Title	Date	PubMed
[The effect of second generation histamine antagonists on the heart].	2001	11575008
Desloratadine: A new, nonsedating, oral antihistamine.	2001 Apr	11295678
Effect of desloratadine and loratadine on rhinovirus-induced intercellular adhesion molecule 1 upregulation and promoter activation in respiratory epithelial cells.	2001 Aug	11496238
Evaluation of the interaction of loratadine and desloratadine with P-glycoprotein.	2001 Aug	11454724
Chronic urticaria: impact of allergic inflammation.	2002	12492725

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Patents

Sample Use Guides

In Vivo Use Guide

Adults and Adolescents 12 Years of Age and Over: take 5 mg tablet once daily. Children 6 to Years of Age: take 2.5 mg tablet once daily. Children 12 Months to 5 Years of Age: take 1.25 mg tablet once daily. Children 6 to 11 Months of Age: 1 mg tablet once daily.

Route of Administration: Oral

In Vitro Use Guide

Nasal epithelial cells (activated by 1 uM of histamine) were treated with 10 uM of desloratadine and the inhibitory activity of the drug on expression of ICAM-1 and HLA-DR was studied.