FLUNARIZINE HYDROCHLORIDE

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Synonyms
Status
Molecule Category Salt-form
UNII C11102TO53
EPA CompTox DTXSID80184554
Parent Compound: FLUNARIZINE

Structure

InChI Key RXKMOPXNWTYEHI-RDRKJGRWSA-N
Smiles 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
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(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 102.66-117.36
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 102.66-117.36

Cross References

Resources Reference
ChEBI 31621
ChEMBL CHEMBL552659
FDA SRS C11102TO53
PubChem 5282407
SureChEMBL SCHEMBL1009444
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