RANOLAZINE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC C01EB18
UNII A6IEZ5M406
EPA CompTox DTXSID3045196

Structure

InChI Key XKLMZUWKNUAPSZ-UHFFFAOYSA-N
Smiles COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1
InChI
InChI=1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H33N3O4
Molecular Weight 427.55
AlogP 2.31
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 74.27
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 31.0

Pharmacology

Mechanism of Action Action Reference
Sodium channel protein type IV alpha subunit blocker BLOCKER PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 11-19
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - -14.9-83.1
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 70.75-83.1
Homo sapiens
- - - - -14.9-41.6
Oryctolagus cuniculus
- - - - 60-60

Target Conservation

Protein: Sodium channel protein type IV alpha subunit
Description: Sodium channel protein type 4 subunit alpha
Organism : Homo sapiens
P35499 ENSG00000007314
Protein: Sodium channel protein type V alpha subunit
Description: Sodium channel protein type 5 subunit alpha
Organism : Homo sapiens
Q14524 ENSG00000183873

Cross References

Resources Reference
ChEBI 87690
ChEMBL CHEMBL1404
DrugBank DB00243
DrugCentral 2359
FDA SRS A6IEZ5M406
Human Metabolome Database HMDB0014388
Guide to Pharmacology 7291
PharmGKB PA164746007
PubChem 56959
SureChEMBL SCHEMBL124665
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