FLUNARIZINE

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Synonyms
Status
Molecule Category Free-form
ATC N07CA03
UNII R7PLA2DM0J
EPA CompTox DTXSID6045616

Structure

InChI Key SMANXXCATUTDDT-QPJJXVBHSA-N
Smiles Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1
InChI
InChI=1S/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2/b7-4+

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H26F2N2
Molecular Weight 404.5
AlogP 5.39
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 6.48
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 30.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Auxiliary transport protein Calcium channel auxiliary subunit alpha2delta family
- 80 - - -
Enzyme
- 760-950 - 100-130 -
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 80 530-840 - -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 290-600 - 53 96.7
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 228-228 - - -
Unclassified protein
- 80 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- 600 - - 96.7
Homo sapiens
- 760-950 - 100-130 -
Oryctolagus cuniculus
- - 5.012 - -
Rattus norvegicus
- 80-420 - 53 -

Cross References

Resources Reference
ChEBI 135652
ChEMBL CHEMBL30008
DrugBank DB04841
DrugCentral 1200
FDA SRS R7PLA2DM0J
Human Metabolome Database HMDB0015589
PharmGKB PA164776636
PubChem 941361
SureChEMBL SCHEMBL43440
ZINC ZINC000019360739
CONTENTS