DIBUCAINE HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII Z97702A5DG

Structure

InChI Key IVHBBMHQKZBJEU-UHFFFAOYSA-N
Smiles CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1.Cl
InChI
InChI=1S/C20H29N3O2.ClH/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3;/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H30ClN3O2
Molecular Weight 379.93
AlogP 3.49
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 10.0
Polar Surface Area 54.46
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 25.0

Pharmacology

Mechanism of Action Action Reference
Sodium channel protein type V alpha subunit blocker BLOCKER PubMed PubMed
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
- - - - 94.35-103.37
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 94.35-103.37

Target Conservation

Protein: Sodium channel protein type V alpha subunit
Description: Sodium channel protein type 5 subunit alpha
Organism : Homo sapiens
Q14524 ENSG00000183873
Protein: Sodium channel protein type X alpha subunit
Description: Sodium channel protein type 10 subunit alpha
Organism : Homo sapiens
Q9Y5Y9 ENSG00000185313

Cross References

Resources Reference
ChEBI 59735
ChEMBL CHEMBL1200612
FDA SRS Z97702A5DG
PubChem 6078
SureChEMBL SCHEMBL31303
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