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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201190
CHEMBL1201190
Compound Name LEVOCETIRIZINE DIHYDROCHLORIDE
ChEMBL Synonyms XYZAL ALLERGY 24HR | XYZAL | LEVOCETIRIZINE DIHYDROCHLORIDE | XYZALL | UCB 28556 | XUSAL
Max Phase 4 (Approved)
Trade Names LEVOCETIRIZINE DIHYDROCHLORIDE | XUSAL | XYZAL | XYZAL ALLERGY 24HR | XYZALL
Molecular Formula C21H27Cl3N2O3

Additional synonyms for CHEMBL1201190 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.Cl.OC(=O)COCCN1CCN(CC1)[C@H](c2ccccc2)c3ccc(Cl)cc3
Standard InChI InChI=1S/C21H25ClN2O3.2ClH/c22-19-8-6-18(7-9-19)21(17-4-2-1- ...
Download InChI
Standard InChI Key PGLIUCLTXOYQMV-GHVWMZMZSA-N

Sources

  • Orange Book
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1201190

Molecule Features

CHEMBL1201190 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Histamine H1 receptor antagonist Histamine H1 receptor DailyMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Lecithin Cholesterol Acyltransferase DeficiencyD007863Orphanet:79292Fish-eye disease1ClinicalTrials
RhinitisD0122203ClinicalTrials
ClinicalTrials
UrticariaD014581EFO:0005531urticaria4ClinicalTrials
DailyMed
DailyMed
ClinicalTrials
CoughD003371HP:0012735Cough2ClinicalTrials
Rhinitis, Allergic, SeasonalD006255EFO:0003956seasonal allergic rhinitis3ClinicalTrials
ClinicalTrials
Skin ManifestationsD0128774DailyMed
DailyMed

Clinical Data

ClinicalTrials.gov LEVOCETIRIZINE DIHYDROCHLORIDE
The Cochrane Collaboration LEVOCETIRIZINE DIHYDROCHLORIDE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1201190. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL231 Histamine H1 receptor Homo sapiens 1.000
CHEMBL3943 Histamine H1 receptor Cavia porcellus 0.998
CHEMBL4641 Voltage-gated T-type calcium channel alpha-1G subunit Homo sapiens 0.986
CHEMBL234 Dopamine D3 receptor Homo sapiens 0.984
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.966
CHEMBL338 Dopamine transporter Rattus norvegicus 0.948
CHEMBL264 Histamine H3 receptor Homo sapiens 0.881
CHEMBL313 Serotonin transporter Rattus norvegicus 0.767
CHEMBL228 Serotonin transporter Homo sapiens 0.652
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 0.606
CHEMBL287 Sigma opioid receptor Homo sapiens 0.340
CHEMBL2014 Nociceptin receptor Homo sapiens 0.340
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 0.215
CHEMBL5107 Voltage-gated N-type calcium channel alpha-1B subunit Rattus norvegicus 0.203



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL231 Histamine H1 receptor Homo sapiens 1.000
CHEMBL4641 Voltage-gated T-type calcium channel alpha-1G subunit Homo sapiens 1.000
CHEMBL234 Dopamine D3 receptor Homo sapiens 0.997
CHEMBL3943 Histamine H1 receptor Cavia porcellus 0.994
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.993
CHEMBL313 Serotonin transporter Rattus norvegicus 0.990
CHEMBL228 Serotonin transporter Homo sapiens 0.946
CHEMBL264 Histamine H3 receptor Homo sapiens 0.919
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 0.903
CHEMBL219 Dopamine D4 receptor Homo sapiens 0.887
CHEMBL2014 Nociceptin receptor Homo sapiens 0.874
CHEMBL338 Dopamine transporter Rattus norvegicus 0.794
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.739
CHEMBL1941 Histamine H2 receptor Homo sapiens 0.549
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 0.520
CHEMBL287 Sigma opioid receptor Homo sapiens 0.465
CHEMBL238 Dopamine transporter Homo sapiens 0.445
CHEMBL5107 Voltage-gated N-type calcium channel alpha-1B subunit Rattus norvegicus 0.387
CHEMBL2327 Neurokinin 2 receptor Homo sapiens 0.323
CHEMBL240 HERG Homo sapiens 0.271

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
388.9 388.1554 3.15 8 53.01 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.46 6.71 1.62 -1.45 2 27 0.7

Structural Alerts

There are 2 structural alerts for CHEMBL1201190. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PGLIUCLTXOYQMV-GHVWMZMZSA-N
DailyMed levocetirizine dihydrochloride

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201190



ACToR 130018-87-0
eMolecules 2728713
FDA SRS SOD6A38AGA
MolPort MolPort-003-983-419
PubChem 15977288 9955977
PubChem: Thomson Pharma 14931605 15191690
SureChEMBL SCHEMBL144375

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/PGLIUCLTXOYQMV-GHVWMZMZSA-N spacer
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