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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL43064
CHEMBL43064
Compound Name CINNARIZINE
ChEMBL Synonyms Stunarone | CINNARIZINE | STUGERON FTE | STUTGIN | R 1575 | MARZINE R.F. | 516 MD | STUGERON | R 516 | MYLAN TRAVEL SICKNESS
Max Phase 4 (Approved)
Trade Names MYLAN TRAVEL SICKNESS | MARZINE R.F. | STUGERON | STUGERON FTE
Molecular Formula C26H28N2

Additional synonyms for CHEMBL43064 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C(\C=C\c1ccccc1)N2CCN(CC2)C(c3ccccc3)c4ccccc4
Standard InChI InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22- ...
Download InChI
Standard InChI Key DERZBLKQOCDDDZ-JLHYYAGUSA-N

Sources

  • British National Formulary
  • DrugMatrix
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL43064

Molecule Features

CHEMBL43064 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Mechanism of Action

Mechanism of Action ChEMBL Target References
Histamine H1 receptor antagonist Histamine H1 receptor PubMed PubMed PubMed PubMed PubMed PubMed PubMed
Voltage-gated L-type calcium channel blocker Voltage-gated L-type calcium channel PubMed PubMed PubMed PubMed PubMed PubMed PubMed

Clinical Data

ClinicalTrials.gov CINNARIZINE
The Cochrane Collaboration CINNARIZINE

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 CHEMBL43064. 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
CHEMBL1916 Alpha-2c adrenergic receptor Homo sapiens 1.000
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 1.000
CHEMBL231 Histamine H1 receptor Homo sapiens 1.000
CHEMBL313 Serotonin transporter Rattus norvegicus 1.000
CHEMBL5107 Voltage-gated N-type calcium channel alpha-1B subunit Rattus norvegicus 1.000
CHEMBL4191 Monoglyceride lipase Homo sapiens 0.999
CHEMBL236 Delta opioid receptor Homo sapiens 0.998
CHEMBL338 Dopamine transporter Rattus norvegicus 0.998
CHEMBL269 Delta opioid receptor Rattus norvegicus 0.997
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.997
CHEMBL234 Dopamine D3 receptor Homo sapiens 0.997
CHEMBL4018 Neuropeptide Y receptor type 2 Homo sapiens 0.996
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 0.993
CHEMBL4641 Voltage-gated T-type calcium channel alpha-1G subunit Homo sapiens 0.972
CHEMBL228 Serotonin transporter Homo sapiens 0.965
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.940
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 0.911
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.797
CHEMBL233 Mu opioid receptor Homo sapiens 0.775
CHEMBL287 Sigma opioid receptor Homo sapiens 0.753



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1916 Alpha-2c adrenergic receptor Homo sapiens 1.000
CHEMBL4018 Neuropeptide Y receptor type 2 Homo sapiens 1.000
CHEMBL313 Serotonin transporter Rattus norvegicus 1.000
CHEMBL236 Delta opioid receptor Homo sapiens 0.999
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 0.998
CHEMBL5107 Voltage-gated N-type calcium channel alpha-1B subunit Rattus norvegicus 0.997
CHEMBL269 Delta opioid receptor Rattus norvegicus 0.997
CHEMBL231 Histamine H1 receptor Homo sapiens 0.996
CHEMBL4191 Monoglyceride lipase Homo sapiens 0.995
CHEMBL270 Mu opioid receptor Rattus norvegicus 0.993
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.986
CHEMBL234 Dopamine D3 receptor Homo sapiens 0.985
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 0.977
CHEMBL338 Dopamine transporter Rattus norvegicus 0.973
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 0.949
CHEMBL233 Mu opioid receptor Homo sapiens 0.886
CHEMBL228 Serotonin transporter Homo sapiens 0.862
CHEMBL4478 Voltage-gated N-type calcium channel alpha-1B subunit Homo sapiens 0.842
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 0.753
CHEMBL5162 Neuropeptide S receptor Homo sapiens 0.680

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
368.5 368.2252 5.11 6 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
- 7 5.03 4.86 3 28 0.6

Structural Alerts

There are 1 structural alerts for CHEMBL43064. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N07 - OTHER NERVOUS SYSTEM DRUGS
N07C - ANTIVERTIGO PREPARATIONS
N07CA - Antivertigo preparations
N07CA52 - cinnarizine, combinations

N - NERVOUS SYSTEM
N07 - OTHER NERVOUS SYSTEM DRUGS
N07C - ANTIVERTIGO PREPARATIONS
N07CA - Antivertigo preparations
N07CA02 - cinnarizine

ChemSpider ChemSpider:DERZBLKQOCDDDZ-JLHYYAGUSA-N
PubChem SID: 144203660 SID: 170465920 SID: 50103929 SID: 56422441 SID: 85231348 SID: 855570 SID: 90340734
Wikipedia Cinnarizine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL43064



ACToR 298-57-7 16699-20-0
BindingDB 50017657
ChEBI 31403
ChemicalBook CB6384748
DrugCentral 654
eMolecules 536206
EPA CompTox Dashboard DTXSID3022821
FDA SRS 3DI2E1X18L
Guide to Pharmacology 9072
LINCS LSM-42858
Mcule MCULE-8383449065
MolPort MolPort-002-056-760
Nikkaji J2.572K J39.649D
PubChem 1547484
PubChem: Thomson Pharma 14803894
SureChEMBL SCHEMBL44957
ZINC ZINC000019632891

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