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Compound Detail

CHEMBL1201190

LEVOCETIRIZINE DIHYDROCHLORIDE
💊 Approved Drug
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💊 Approved Drug
Cl.Cl.O=C(O)COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1201190
Name LEVOCETIRIZINE DIHYDROCHLORIDE
Phase Approved
Structure Type MOL
InChI Key PGLIUCLTXOYQMV-GHVWMZMZSA-N
Therapeutic ✓ Yes
Parent Compound CHEMBL1201191
Active Moiety CHEMBL1201191

Known Names

Cetirizine (r)-form dihydrochloride Cetirizine hydrochloride (r)- Levocetirizine dihydrochloride Levocetirizine hydrochloride Levocetirizine monohydrochloride NSC-758898 UCB 28556 UCB-28556 Xusal Xyzal Xyzal allergy 24hr Xyzall
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
12
Known Names
8
Indications
1
Mechanisms

Molecular Properties

388.9
MW (Da)
3.15
ALogP
4
HBA
1
HBD
53.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2007
Availability OTC
Chirality Single Enantiomer

Routes of Administration

Oral
USAN Year 2007

Extended Properties

Molecular Formula C21H27Cl3N2O3
MW 461.82
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.21

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Histamine H1 receptor antagonist ANTAGONIST Histamine H1 receptor ✓ ✓

Indications

Rhinitis, Allergic, Perennial Rhinitis, Allergic, Seasonal Skin Manifestations Urticaria Chronic Urticaria Rhinitis Cough Lecithin Cholesterol Acyltransferase Deficiency

Activity Summary

Ki 1 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H1 receptor
CHEMBL231
 Ki 7.3 7.3 50.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histamine H1 receptor Ki = 50.0 nM 7.3 Binding affinity for H1 histamine receptor expressed in CHO cells 15771458

Literature References

PubMed DOI Target Context # Activities
15771458 10.1021/jm049495j Rattus norvegicus 7
15771458 10.1021/jm049495j No relevant target 5
15771458 10.1021/jm049495j Cavia porcellus 5
15771458 10.1021/jm049495j Canis familiaris 3
- 10.1007/s00044-010-9512-1 Cavia porcellus 2
26948801 10.1016/j.drudis.2016.02.015 Homo sapiens 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
15771458 10.1021/jm049495j Histamine H1 receptor 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine