ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL30008
CHEMBL30008
Compound Name FLUNARIZINE
ChEMBL Synonyms FLURIZIN | R 14,950 | SIBELIUM | Flunarizine Dihydrochloride | FLUNARIZINE | FLUNARIZINE HYDROCHLORIDE | MIGARID-10
Max Phase 4 (Approved)
Trade Names MIGARID-10 | FLURIZIN | SIBELIUM
Molecular Formula C26H26F2N2

Additional synonyms for CHEMBL30008 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc(cc1)C(N2CCN(C\C=C\c3ccccc3)CC2)c4ccc(F)cc4
Standard InChI InChI=1S/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28 ...
Download InChI
Standard InChI Key SMANXXCATUTDDT-QPJJXVBHSA-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


CHEMBL30008

Molecule Features

CHEMBL30008 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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Migraine DisordersD008881EFO:0003821migraine disorder1ClinicalTrials

Clinical Data

ClinicalTrials.gov FLUNARIZINE
The Cochrane Collaboration FLUNARIZINE

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 CHEMBL30008. 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
CHEMBL231 Histamine H1 receptor Homo sapiens 1.000
CHEMBL313 Serotonin transporter Rattus norvegicus 1.000
CHEMBL338 Dopamine transporter Rattus norvegicus 1.000
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 1.000
CHEMBL234 Dopamine D3 receptor Homo sapiens 0.999
CHEMBL4191 Monoglyceride lipase Homo sapiens 0.997
CHEMBL4641 Voltage-gated T-type calcium channel alpha-1G subunit Homo sapiens 0.997
CHEMBL228 Serotonin transporter Homo sapiens 0.997
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 0.979
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.970
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.956
CHEMBL3259470 G-protein coupled receptor 183 Homo sapiens 0.932
CHEMBL5107 Voltage-gated N-type calcium channel alpha-1B subunit Rattus norvegicus 0.871
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.846
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 0.830
CHEMBL238 Dopamine transporter Homo sapiens 0.795
CHEMBL4018 Neuropeptide Y receptor type 2 Homo sapiens 0.764
CHEMBL287 Sigma opioid receptor Homo sapiens 0.613
CHEMBL324 Serotonin 2c (5-HT2c) receptor Rattus norvegicus 0.316



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL313 Serotonin transporter Rattus norvegicus 1.000
CHEMBL1916 Alpha-2c adrenergic receptor Homo sapiens 1.000
CHEMBL231 Histamine H1 receptor Homo sapiens 1.000
CHEMBL338 Dopamine transporter Rattus norvegicus 0.999
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 0.997
CHEMBL234 Dopamine D3 receptor Homo sapiens 0.997
CHEMBL4018 Neuropeptide Y receptor type 2 Homo sapiens 0.994
CHEMBL4191 Monoglyceride lipase Homo sapiens 0.990
CHEMBL228 Serotonin transporter Homo sapiens 0.989
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.985
CHEMBL5107 Voltage-gated N-type calcium channel alpha-1B subunit Rattus norvegicus 0.968
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 0.961
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.913
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 0.912
CHEMBL238 Dopamine transporter Homo sapiens 0.893
CHEMBL4641 Voltage-gated T-type calcium channel alpha-1G subunit Homo sapiens 0.849
CHEMBL3259470 G-protein coupled receptor 183 Homo sapiens 0.846
CHEMBL324 Serotonin 2c (5-HT2c) receptor Rattus norvegicus 0.830
CHEMBL236 Delta opioid receptor Homo sapiens 0.722
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 0.505

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
404.5 404.2064 5.39 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
- 6.99 5.59 5.44 3 30 0.54

Structural Alerts

There are 1 structural alerts for CHEMBL30008. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N07 - OTHER NERVOUS SYSTEM DRUGS
N07C - ANTIVERTIGO PREPARATIONS
N07CA - Antivertigo preparations
N07CA03 - flunarizine

ChemSpider ChemSpider:SMANXXCATUTDDT-QPJJXVBHSA-N
PubChem SID: 104171359 SID: 124883266 SID: 144204376 SID: 170466037 SID: 26751607 SID: 26751608 SID: 50104264 SID: 50104265 SID: 90341204
Wikipedia Flunarizine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL30008



ACToR 52468-60-7 40218-96-0
BindingDB 50017702
Brenda 194342 209062
ChEBI 135652
ChemicalBook CB2757102
DrugBank DB04841
DrugCentral 1200
EPA CompTox Dashboard DTXSID6045616
FDA SRS R7PLA2DM0J
Human Metabolome Database HMDB0015589
LINCS LSM-42878
Nikkaji J291.228G J9.934A
PharmGKB PA164776636
PubChem 941361
PubChem: Thomson Pharma 14879384
SureChEMBL SCHEMBL43440
ZINC ZINC000019360739

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