FLUNARIZINE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Parent
ATC: N07CA03
UNII: R7PLA2DM0J

Structure
InChI Key SMANXXCATUTDDT-QPJJXVBHSA-N
Smile 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
Hydrogen Bond Donor 0.0
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 Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 7890 - - -
Enzyme Hydrolase
- - - - 5.82
Enzyme Transferase
- - - - 16.91
Enzyme
- 760-950 - 100-130 16.91
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -16.99--1.66
Ion channel Voltage-gated ion channel Potassium channels Two-pore domain potassium channel
- 2500 - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 605.8 - 496.3 -
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 1670 530-530 - -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 290-290 - 53 96.7
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- 5236 - 2125 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Cannabinoid receptor
- 3028 - 2391 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- 1107 - 313 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 1085 - 218 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 228-228 - 117 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 158 - 18 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 1088 - 116 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Nucleotide-like receptor (family A GPCR) Adenosine receptor
- 5198 - 2938 -
Membrane receptor
- 228-228 - 10 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 1339 - 1328 -
Unclassified protein
- 80 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Migraine Disorders 1 D008881 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 52468-60-7
ChEBI 135652
ChEMBL CHEMBL30008
DrugBank DB04841
DrugCentral 1200
EPA CompTox DTXSID6045616
FDA SRS R7PLA2DM0J
Human Metabolome Database HMDB0015589
PharmGKB PA164776636
PubChem 941361
SureChEMBL SCHEMBL43440
ZINC ZINC000019360739
CONTENTS