DESLORATADINE

Search structure
Trade Names:
Synonyms:
Status: Approved (2001)
Entry Type: Small molecule
Molecule Category: Parent
ATC: R06AX27
UNII: FVF865388R

Structure
InChI Key JAUOIFJMECXRGI-UHFFFAOYSA-N
Smile 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
Number of Rotational Bond 0.0
Polar Surface Area 24.92
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Histamine H1 receptor antagonist DailyMed
Primary Target
H1 receptor
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
- 2 24 1-2 47-80

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypersensitivity 4 D006967 ClinicalTrials
Dermatitis 3 D003872 ClinicalTrials
Dermatitis, Atopic 3 D003876 ClinicalTrials
Rhinitis, Allergic, Perennial 3 D012221 ClinicalTrials
Eczema 3 D004485 ClinicalTrials
Pruritus 3 D011537 ClinicalTrials
Conjunctivitis, Allergic 3 D003233 ClinicalTrials
Common Cold 3 D003139 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Lecithin Cholesterol Acyltransferase Deficiency 1 D007863 ClinicalTrials

Related Entries

MCS

Scaffolds

Mixture

Side Effects from Label

Side effects Relative Frequency (%) Labels
Nervous system disorders Headache 4.5
Infections and infestations Infection 4.1
Infections and infestations Infestation 4.1
Gastrointestinal disorders Pharyngitis 4.1
Gastrointestinal disorders Dry mouth 3.0
Gastrointestinal disorders Gastrointestinal disorder 3.0
Psychiatric disorders Mental disorder 2.84
General disorders and administration site conditions Asthenia 2.1
Reproductive system and breast disorders Breast disorder 2.1
Musculoskeletal and connective tissue disorders Connective tissue disorder 2.1
Reproductive system and breast disorders Dysmenorrhoea 2.1
General disorders and administration site conditions Fatigue 2.1
Musculoskeletal and connective tissue disorders Musculoskeletal discomfort 2.1
Musculoskeletal and connective tissue disorders Myalgia 2.1
Nervous system disorders Nervous system disorder 2.1
Nervous system disorders Somnolence 2.1
Infections and infestations Infection
Infections and infestations Infestation
Gastrointestinal disorders Pharyngitis
Nervous system disorders Somnolence 1.93
Gastrointestinal disorders Dry mouth
Gastrointestinal disorders Gastrointestinal disorder
Musculoskeletal and connective tissue disorders Connective tissue disorder
Musculoskeletal and connective tissue disorders Musculoskeletal discomfort
Musculoskeletal and connective tissue disorders Myalgia
Nervous system disorders Nervous system disorder
Nervous system disorders Somnolence
Reproductive system and breast disorders Breast disorder
Reproductive system and breast disorders Dysmenorrhoea
General disorders and administration site conditions Asthenia
General disorders and administration site conditions Asthenia 1.2
General disorders and administration site conditions Fatigue
General disorders and administration site conditions Fatigue 1.2
Gastrointestinal disorders Dry mouth 0.8
Nervous system disorders Headache 0.6

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
10.62
Nervous system disorders
10.11
Psychiatric disorders
9.51
Respiratory, thoracic and mediastinal disorders
8.62
Skin and subcutaneous tissue disorders
8.25
Gastrointestinal disorders
7.65
Injury, poisoning and procedural complications
7.49
Immune system disorders
7.15
Cardiac disorders
5.1
Vascular disorders
4.55
Investigations
3.77
Musculoskeletal and connective tissue disorders
2.73

Cross References

Resources Reference
CAS NUMBER 100643-71-8
ChEBI 291342
ChEMBL CHEMBL1172
DrugBank DB00967
DrugCentral 814
EPA CompTox DTXSID1044196
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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