Compound Detail
CHEMBL170
QUININE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL170 |
| Name | QUININE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | LOUPRKONTZGTKE-WZBLMQSHSA-N |
| Therapeutic | ✓ Yes |
26
Targets
405
Activities
4
Assay Types
13
PK Parameters
20
Publications
6
Known Names
5
Indications
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 | 2005 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Indications
Malaria Malaria, Falciparum Chronic Pain Immunologic Deficiency Syndromes Severe Acute Respiratory Syndrome
ATC Classification
M09AA72
quinine, combinations with psycholeptics
Level 1: MUSCULO-SKELETAL SYSTEM
Level 2: OTHER DRUGS FOR DISORDERS OF THE MUSCULO-SKELETAL SYSTEM
P01BC01
quinine
Level 1: ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
Level 2: ANTIPROTOZOALS
Activity Summary
IC50 378 meas. best 9.15
Ki 13 meas. best 6.03
EC50 12 meas. best 6.96
Kd 2 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 9.15 | 6.7115 | 0.7 | 314 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 8.0 | 6.6533 | 10.0 | 3 |
| Cytochrome P450 2D26 CHEMBL2483 | IC50 | 7.03 | 7.03 | 94.0 | 1 |
| Plasmodium falciparum CHEMBL364 | EC50 | 6.96 | 6.62 | 110.0 | 6 |
| Solute carrier family 22 member 1 CHEMBL2073664 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| Solute carrier family 22 member 1 CHEMBL2073670 | IC50 | 6.05 | 5.8 | 900.0 | 3 |
| Solute carrier family 22 member 1 CHEMBL2073670 | Ki | 6.03 | 5.7 | 930.0 | 2 |
| Cytochrome P450 2D4 CHEMBL4982 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| ATP-dependent translocase ABCB1 CHEMBL4302 | IC50 | 5.77 | 4.6525 | 1700.0 | 4 |
| Solute carrier family 22 member 2 CHEMBL2073662 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| Solute carrier family 22 member 2 CHEMBL1743122 | Ki | 5.47 | 5.47 | 3400.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.46 | 4.5233 | 3500.0 | 9 |
| Solute carrier organic anion transporter family member 1A4 CHEMBL1781860 | Ki | 5.42 | 5.42 | 3810.0 | 1 |
| Sodium channel alpha subunits; brain (Types I, II, III) CHEMBL2096682 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
| Cytochrome P450 2D6 CHEMBL289 | Ki | 5.34 | 4.984 | 4600.0 | 5 |
| Leishmania major CHEMBL612879 | EC50 | 5.03 | 5.025 | 9410.0 | 2 |
| ScN2a CHEMBL613872 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Cytochrome P450 2D3 CHEMBL3057 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| ATP-dependent translocase ABCB1 CHEMBL4302 | Ki | 4.92 | 4.92 | 12000.0 | 1 |
| Solute carrier family 22 member 2 CHEMBL1770032 | IC50 | 4.89 | 4.655 | 13000.0 | 2 |
| ADMET CHEMBL612558 | IC50 | 4.69 | 4.69 | 20250.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 4.67 | 4.67 | 21200.0 | 1 |
| Solute carrier family 22 member 1 CHEMBL5685 | Ki | 4.64 | 4.64 | 22900.0 | 1 |
| MES-SA/Dx5 CHEMBL613827 | IC50 | 4.37 | 4.27 | 43000.0 | 2 |
| Cytochrome P450 2D1 CHEMBL2475 | IC50 | 4.33 | 4.33 | 46500.0 | 1 |
| Solute carrier family 22 member 1 CHEMBL5685 | IC50 | 4.29 | 4.29 | 51600.0 | 1 |
| Solute carrier family 22 member 2 CHEMBL1770032 | Ki | 4.26 | 4.26 | 55000.0 | 1 |
| Heme CHEMBL4651321 | IC50 | 4.19 | 4.19 | 65000.0 | 1 |
| Solute carrier organic anion transporter family member 1A1 CHEMBL1781859 | Ki | 4.12 | 4.12 | 76700.0 | 1 |
| MES-SA CHEMBL614343 | IC50 | 4.04 | 4.035 | 91000.0 | 2 |
| Bile salt export pump CHEMBL6020 | IC50 | 4.0 | 4.0 | 98830.0 | 1 |
| FM3A CHEMBL614297 | EC50 | 4.0 | 4.0 | 100000.0 | 4 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 1.9 | mL.min-1.kg-1 | Homo sapiens |
| CL | 1.6 | mL.min-1.kg-1 | Homo sapiens |
| CL | 1.9 | mL.min-1.kg-1 | Homo sapiens |
| CL | 1.9 | mL.min-1.kg-1 | Homo sapiens |
| F | 80.0 | % | Homo sapiens |
| F | 80.0 | % | Homo sapiens |
| Fu | 0.3 | - | Homo sapiens |
| Fu | 0.3 | - | Homo sapiens |
| Fu | 0.082 | - | Rattus norvegicus |
| Ka | 0.2 | 10^5/M | - |
| MRT | 16.0 | hr | Homo sapiens |
| T1/2 | 11.0 | hr | Homo sapiens |
| Vd | 43.0 | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine