Compound Detail
CHEMBL172
(S,R)-MEFLOQUINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL172 |
| Name | (S,R)-MEFLOQUINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEEQGYMUWCZPDN-DOMZBBRYSA-N |
22
Targets
109
Activities
3
Assay Types
13
PK Parameters
20
Publications
0
Known Names
Molecular Properties
378.3
MW (Da)
4.45
ALogP
3
HBA
2
HBD
45.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 95 meas. best 9.4
EC50 11 meas. best 8.6
Ki 3 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 9.4 | 7.5212 | 0.4 | 67 |
| Plasmodium falciparum CHEMBL364 | EC50 | 8.6 | 7.982 | 2.5 | 5 |
| Plasmodium knowlesi CHEMBL613011 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Plasmodium vivax CHEMBL613013 | IC50 | 7.36 | 7.36 | 44.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.4 | 5.6467 | 400.0 | 3 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 6.28 | 6.28 | 530.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 6.18 | 4.93 | 667.0 | 5 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | Ki | 5.72 | 5.72 | 1900.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 5.62 | 5.015 | 2410.0 | 2 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.58 | 5.2 | 2600.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.49 | 5.315 | 3250.0 | 2 |
| dengue virus type 2 CHEMBL613966 | EC50 | 5.49 | 5.49 | 3220.0 | 1 |
| Zika virus CHEMBL4296612 | EC50 | 5.44 | 5.42 | 3600.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.35 | 5.35 | 4500.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.35 | 5.35 | 4480.0 | 1 |
| L6 CHEMBL614793 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
| Adenosine receptor A2a CHEMBL251 | Ki | 5.18 | 5.18 | 6553.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 5.02 | 5.02 | 9500.0 | 1 |
| HepG2 CHEMBL395 | EC50 | 5.01 | 5.01 | 9800.0 | 1 |
| U-251 CHEMBL615022 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.94 | 4.94 | 11500.0 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 4.85 | 4.85 | 14044.0 | 1 |
| Cytochrome P450 2C19 CHEMBL3622 | IC50 | 4.83 | 4.83 | 14900.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
| Heme CHEMBL4651321 | IC50 | 4.33 | 4.33 | 47000.0 | 1 |
| Hemozoin CHEMBL613898 | IC50 | 4.22 | 4.22 | 60000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 20.0 | mL.min-1.g-1 | Mus musculus |
| CL | 20.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 20.0 | mL.min-1.g-1 | Homo sapiens |
| Cmax | 132.16 | nM | Homo sapiens |
| Fu | 3.2 | ng/g | Mus musculus |
| T1/2 | 336.0 | hr | Homo sapiens |
| T1/2 | 1.0 | hr | Mus musculus |
| T1/2 | 1.0 | hr | Homo sapiens |
| T1/2 | 23.0 | hr | Mus musculus |
| T1/2 | 6.2 | hr | Plasmodium falciparum |
| T1/2 | 480.0 | hr | Homo sapiens |
| Tmax | 0.08333 | hr | Mus musculus |
| Vd | 20.0 | L.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine