FLUNARIZINE HYDROCHLORIDE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Salt
UNII: C11102TO53
Parent Compound: FLUNARIZINE

Structure
InChI Key RXKMOPXNWTYEHI-RDRKJGRWSA-N
Smile Cl.Cl.Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1
InChI
InChI=1S/C26H26F2N2.2ClH/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;2*1H/b7-4+;;

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H28Cl2F2N2
Molecular Weight 477.43
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(%)
Enzyme Transferase
- - - - 7.028
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- 2410 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 102.66

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Myoclonic Epilepsy, Juvenile 2 D020190 ClinicalTrials
Epilepsy, Absence 2 D004832 ClinicalTrials
Epilepsy, Absence 2 D004832 ClinicalTrials

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
ChEBI 31621
ChEMBL CHEMBL552659
EPA CompTox DTXSID80184554
FDA SRS C11102TO53
PubChem 57516003
SureChEMBL SCHEMBL1009444
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