QUINIDINE SULFATE

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII J13S2394HE
Parent Compound: QUINIDINE

Structure

InChI Key ZHNFLHYOFXQIOW-AHSOWCEXSA-N
Smiles C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.O.O.O=S(=O)(O)O
InChI
InChI=1S/2C20H24N2O2.H2O4S.2H2O/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4;;/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4);2*1H2/t2*13-,14-,19+,20-;;;/m00.../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C40H54N4O10S
Molecular Weight 782.96
AlogP 3.17
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 45.59
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 24.0

Bioactivity

Mechanism of Action Action Reference
Sodium channel alpha subunit blocker BLOCKER DailyMed
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 1 subunit alpha
Organism : Homo sapiens
P35498 ENSG00000144285
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 4 subunit alpha
Organism : Homo sapiens
P35499 ENSG00000007314
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 5 subunit alpha
Organism : Homo sapiens
Q14524 ENSG00000183873
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 9 subunit alpha
Organism : Homo sapiens
Q15858 ENSG00000169432
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 2 subunit alpha
Organism : Homo sapiens
Q99250 ENSG00000136531
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 3 subunit alpha
Organism : Homo sapiens
Q9NY46 ENSG00000153253
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 11 subunit alpha
Organism : Homo sapiens
Q9UI33 ENSG00000168356
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 8 subunit alpha
Organism : Homo sapiens
Q9UQD0 ENSG00000196876
Protein: Sodium channel alpha subunit
Description: Sodium channel protein type 10 subunit alpha
Organism : Homo sapiens
Q9Y5Y9 ENSG00000185313
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 20-20 - - -
Enzyme Phosphatase
- - - - 19
Enzyme
- 20-20 - - 19
Assay Description Organism Bioactivity Reference
Antiarrhythmic effect expressed as percent reduction of the maximal rate of stimulation for antiarrhythmic activity in guinea pig auricle at 8 uM Cavia porcellus 29.68 %
Inhibitory concentration against human hepatic cytochrome P450 2D6 enzyme Homo sapiens 20.0 nM
Inhibition of human CYP2D6 expressed in Escherichia coli JM109 Homo sapiens 20.0 nM
Inhibition of HIV1 RT Human immunodeficiency virus 1 200.0 ug.mL-1
Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR green assay Plasmodium falciparum 25.12 nM
Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR green assay Plasmodium falciparum 7G8 39.81 nM
Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR green assay Plasmodium falciparum D10 19.95 nM
Antiplasmodial activity against Plasmodium falciparum Dd2 after 72 hrs by SYBR green assay Plasmodium falciparum 158.49 nM
Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR green assay Plasmodium falciparum 25.12 nM
Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR green assay Plasmodium falciparum HB3 39.81 nM
Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR green assay Plasmodium falciparum 63.1 nM
Antiplasmodial activity against Plasmodium falciparum 3D7 infected in RBCs by firefly luciferase reporter gene assay Plasmodium falciparum 56.0 nM
Inhibition of recombinant human truncated SHIP1 using PI(3,4,5)P3diC8 at 1 mM after 30 mins by malachite green phosphatase release assay Homo sapiens 19.0 %
Inhibition of recombinant human truncated SHIP2 using PI(3,4,5)P3diC8 at 1 mM after 30 mins by malachite green phosphatase release assay Homo sapiens 5.0 %

Cross References

Resources Reference
ChEMBL CHEMBL3707183
FDA SRS J13S2394HE
Guide to Pharmacology 2342
KEGG C06527
PubChem 656862
SureChEMBL SCHEMBL1694350
ZINC ZINC03831405
CONTENTS