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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1623
CHEMBL1623
Compound Name MECLIZINE
ChEMBL Synonyms MECLOZINE | Meclizine | TRAVELEEZE | Antivert | ANTIVERT | MECLOZINE HYDROCHLORIDE | SEA-LEGS | MECLIZINE HYDROCHLORIDE | Meclizine diHCl | ANCOLOXIN
Max Phase 4 (Approved)
Trade Names ANTIVERT | ANCOLOXIN | MECLIZINE HYDROCHLORIDE | Antivert | TRAVELEEZE | SEA-LEGS
Molecular Formula C25H27ClN2

Additional synonyms for CHEMBL1623 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cccc(CN2CCN(CC2)C(c3ccccc3)c4ccc(Cl)cc4)c1
Standard InChI InChI=1S/C25H27ClN2/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-1 ...
Download InChI
Standard InChI Key OCJYIGYOJCODJL-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • BindingDB Database
  • British National Formulary
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1623

Molecule Features

CHEMBL1623 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Carcinoma, HepatocellularD006528EFO:0000182hepatocellular carcinoma1ClinicalTrials
Smoking CessationD016540EFO:0004319smoking cessation2ClinicalTrials

Clinical Data

ClinicalTrials.gov MECLIZINE
The Cochrane Collaboration MECLIZINE

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 CHEMBL1623. 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
CHEMBL4641 Voltage-gated T-type calcium channel alpha-1G subunit Homo sapiens 1.000
CHEMBL219 Dopamine D4 receptor Homo sapiens 1.000
CHEMBL231 Histamine H1 receptor Homo sapiens 1.000
CHEMBL2014 Nociceptin receptor Homo sapiens 1.000
CHEMBL2010631 C-X-C chemokine receptor type 7 Homo sapiens 0.997
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.991
CHEMBL234 Dopamine D3 receptor Homo sapiens 0.987
CHEMBL287 Sigma opioid receptor Homo sapiens 0.985
CHEMBL4191 Monoglyceride lipase Homo sapiens 0.958
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.953
CHEMBL338 Dopamine transporter Rattus norvegicus 0.939
CHEMBL4153 Sigma-1 receptor Cavia porcellus 0.851
CHEMBL313 Serotonin transporter Rattus norvegicus 0.811
CHEMBL2243 Anandamide amidohydrolase Homo sapiens 0.719
CHEMBL236 Delta opioid receptor Homo sapiens 0.301
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 0.292
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 0.266
CHEMBL238 Dopamine transporter Homo sapiens 0.253



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4641 Voltage-gated T-type calcium channel alpha-1G subunit Homo sapiens 1.000
CHEMBL219 Dopamine D4 receptor Homo sapiens 1.000
CHEMBL2014 Nociceptin receptor Homo sapiens 1.000
CHEMBL231 Histamine H1 receptor Homo sapiens 1.000
CHEMBL4018 Neuropeptide Y receptor type 2 Homo sapiens 0.999
CHEMBL2010631 C-X-C chemokine receptor type 7 Homo sapiens 0.998
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.996
CHEMBL234 Dopamine D3 receptor Homo sapiens 0.996
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.993
CHEMBL313 Serotonin transporter Rattus norvegicus 0.986
CHEMBL4191 Monoglyceride lipase Homo sapiens 0.964
CHEMBL287 Sigma opioid receptor Homo sapiens 0.954
CHEMBL236 Delta opioid receptor Homo sapiens 0.929
CHEMBL2243 Anandamide amidohydrolase Homo sapiens 0.896
CHEMBL5107 Voltage-gated N-type calcium channel alpha-1B subunit Rattus norvegicus 0.854
CHEMBL5162 Neuropeptide S receptor Homo sapiens 0.769
CHEMBL4153 Sigma-1 receptor Cavia porcellus 0.689
CHEMBL233 Mu opioid receptor Homo sapiens 0.664
CHEMBL338 Dopamine transporter Rattus norvegicus 0.566
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 0.468

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
391 390.1863 5.56 5 6.48 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 1 2 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.74 5.28 5.17 3 28 0.56

Structural Alerts

There are no structural alerts for CHEMBL1623

Compound Cross References

ATC R - RESPIRATORY SYSTEM
R06 - ANTIHISTAMINES FOR SYSTEMIC USE
R06A - ANTIHISTAMINES FOR SYSTEMIC USE
R06AE - Piperazine derivatives
R06AE05 - meclozine

R - RESPIRATORY SYSTEM
R06 - ANTIHISTAMINES FOR SYSTEMIC USE
R06A - ANTIHISTAMINES FOR SYSTEMIC USE
R06AE - Piperazine derivatives
R06AE55 - meclozine, combinations

ChemSpider ChemSpider:OCJYIGYOJCODJL-UHFFFAOYSA-N
DailyMed meclizine hydrochloride
Wikipedia Meclozine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1623



ACToR 569-65-3
BindingDB 81467
ChEBI 6709
DrugBank DB00737
DrugCentral 1649
eMolecules 31226766
EPA CompTox Dashboard DTXSID0023242
Guide to Pharmacology 2757
Human Metabolome Database HMDB0014875
IBM Patent System 66852BD50ED64F7A7D4533844A5BD72C
KEGG Ligand C07116
LINCS LSM-1607
Mcule MCULE-7463916552
MolPort MolPort-002-069-043
Nikkaji J6.532C
PharmGKB PA450338
PubChem 4034
PubChem: Thomson Pharma 14805236
SureChEMBL SCHEMBL4649

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