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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1623
CHEMBL1623
Compound Name MECLIZINE
ChEMBL Synonyms Meclizine | ANTIVERT | Meclizine diHCl | MECLIZINE HYDROCHLORIDE | MECLOZINE
Max Phase 4 (Approved)
Trade Names ANTIVERT | MECLIZINE HYDROCHLORIDE
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
  • 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

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
CHEMBL219 Dopamine D4 receptor Homo sapiens 1.000
CHEMBL231 Histamine H1 receptor Homo sapiens 1.000
CHEMBL4641 Voltage-gated T-type calcium channel alpha-1G subunit Homo sapiens 0.999
CHEMBL2014 Nociceptin receptor Homo sapiens 0.999
CHEMBL234 Dopamine D3 receptor Homo sapiens 0.998
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.994
CHEMBL4191 Monoglyceride lipase Homo sapiens 0.992
CHEMBL287 Sigma opioid receptor Homo sapiens 0.965
CHEMBL313 Serotonin transporter Rattus norvegicus 0.924
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.904
CHEMBL4153 Sigma-1 receptor Cavia porcellus 0.820
CHEMBL338 Dopamine transporter Rattus norvegicus 0.730
CHEMBL3943 Histamine H1 receptor Cavia porcellus 0.695
CHEMBL3764 Urotensin II receptor Homo sapiens 0.310
CHEMBL236 Delta opioid receptor Homo sapiens 0.294
CHEMBL240 HERG Homo sapiens 0.251
CHEMBL233 Mu opioid receptor Homo sapiens 0.231



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
CHEMBL4018 Neuropeptide Y receptor type 2 Homo sapiens 1.000
CHEMBL2014 Nociceptin receptor Homo sapiens 0.999
CHEMBL234 Dopamine D3 receptor Homo sapiens 0.999
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.997
CHEMBL313 Serotonin transporter Rattus norvegicus 0.992
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.991
CHEMBL4191 Monoglyceride lipase Homo sapiens 0.989
CHEMBL231 Histamine H1 receptor Homo sapiens 0.986
CHEMBL236 Delta opioid receptor Homo sapiens 0.925
CHEMBL287 Sigma opioid receptor Homo sapiens 0.915
CHEMBL233 Mu opioid receptor Homo sapiens 0.890
CHEMBL3764 Urotensin II receptor Homo sapiens 0.678
CHEMBL5162 Neuropeptide S receptor Homo sapiens 0.659
CHEMBL4153 Sigma-1 receptor Cavia porcellus 0.609
CHEMBL3943 Histamine H1 receptor Cavia porcellus 0.470
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 0.375
CHEMBL240 HERG Homo sapiens 0.348
CHEMBL1963 Thyroid stimulating hormone receptor Homo sapiens 0.297

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
391 390.1863 6.21 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 0.51

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
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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