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Compound Detail

CHEMBL3707183

QUINIDINE SULFATE
💊 Approved Drug
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💊 Approved Drug
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
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3707183
Name QUINIDINE SULFATE
Phase Approved
Structure Type MOL
InChI Key ZHNFLHYOFXQIOW-AHSOWCEXSA-N
Therapeutic ✓ Yes
Parent Compound CHEMBL1294
Active Moiety CHEMBL1294

Known Names

Cin-quin NSC-10004 Quinicardine Quinidex Quinidex extentabs Quinidine sulfate Quinidine sulfate anhydrous QUINIDINE SULFATE COMPONENT OF AVP-786 Quinidine sulfate component of nuedexta Quinidine sulfate dihydrate Quinidine sulfate hydrate Quinidine sulphate +5 more
2
Targets
10
Activities
1
Assay Types
0
PK Parameters
11
Publications
17
Known Names
2
Indications
1
Mechanisms

Molecular Properties

324.4
MW (Da)
3.17
ALogP
4
HBA
1
HBD
45.6
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1962
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Oral

Flags

Black Box Warning

Extended Properties

Molecular Formula C40H54N4O10S
MW 782.96
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.83

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Sodium channel alpha subunit blocker BLOCKER Sodium channel alpha subunit ✓ ✓

Indications

Amyotrophic Lateral Sclerosis Autistic Disorder

Drug Warnings

Black Box Warning
cardiotoxicity
Country: United States

Activity Summary

IC50 10 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cytochrome P450 2D6
CHEMBL289
 IC50 7.7 7.7 20.0 2
Plasmodium falciparum
CHEMBL364
 IC50 7.7 7.3688 19.9 8

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cytochrome P450 2D6 IC50 = 20.0 nM 7.7 Inhibitory concentration against human hepatic cytochrome P450 2D6 enzyme 16220979
Cytochrome P450 2D6 IC50 = 20.0 nM 7.7 Inhibition of human CYP2D6 expressed in Escherichia coli JM109 16610785
Plasmodium falciparum IC50 = 19.95 nM 7.7 Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 25.12 nM 7.6 Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 25.12 nM 7.6 Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 39.81 nM 7.4 Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 39.81 nM 7.4 Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 56.0 nM 7.25 Antiplasmodial activity against Plasmodium falciparum 3D7 infected in RBCs by fi... 20547797
Plasmodium falciparum IC50 = 63.1 nM 7.2 Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr... 19734910
Plasmodium falciparum IC50 = 158.49 nM 6.8 Antiplasmodial activity against Plasmodium falciparum Dd2 after 72 hrs by SYBR g... 19734910

Literature References

PubMed DOI Target Context # Activities
10509918 10.1016/s0960-894x(99)00456-4 Rattus norvegicus 10
10509918 10.1016/s0960-894x(99)00456-4 Cavia porcellus 9
19734910 10.1038/nchembio.215 Plasmodium falciparum 7
10509918 10.1016/s0960-894x(99)00456-4 No relevant target 1
16220979 10.1021/jm0503704 Cytochrome P450 2D6 1
16610785 10.1021/jm0508538 Cytochrome P450 2D6 1
1710653 10.1021/np50073a012 Human immunodeficiency virus type 1 reverse transcriptase 1
17417631 10.1038/nchembio873 Unchecked 1
20547797 10.1128/aac.00431-10 Plasmodium falciparum 1
26453006 10.1016/j.bmcl.2015.09.034 Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 1
26453006 10.1016/j.bmcl.2015.09.034 Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 1

Data from ChEMBL 36 via Core Engine