| Compound Information | SONAR Target prediction |
| Name: | MEFLOQUINE |
| Unique Identifier: | SPE01503070 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 362.185 g/mol |
| X log p: | 9.561 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 12.36 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 3 |
| Rotatable Bond Count: | 4 |
| Canonical Smiles: | OC(C1CCCCN1)c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F |
| Source: | synthetic |
| Therapeutics: | antimalarial |
| Generic_name: | Mefloquine |
| Chemical_iupac_name: | [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA450348 |
| Kegg_compound_id: | C07633 |
| Drugbank_id: | APRD00300 |
| H2o_solubility: | 5000 mg/L (HCl salt) |
| Logp: | 3.811 |
| Cas_registry_number: | 53230-10-7 |
| Drug_category: | Antimalarials; ATC:P01BC02 |
| Indication: | For the treatment of mild to moderate acute malaria caused by Mefloquineuine-susceptible strains of Plasmodium falciparum (both chloroquine-susceptible and resistant strains) or by Plasmodium vivax. Also for the prophylaxis of Plasmodium falciparum and Plasmodium vivax malaria infections, including prophylaxis of chloroquine-resistant strains of Plasmodium falciparum. |
| Pharmacology: | Mefloquine is an antimalarial agent which acts as a blood schizonticide. Mefloquine is active against the erythrocytic stages of Plasmodium species. However, the drug has no effect against the exoerythrocytic (hepatic) stages of the parasite. Mefloquine is effective against malaria parasites resistant to chloroquine. Mefloquine is a chiral molecule. According to some research, the (+) enantiomer is more effective in treating malaria, and the (-) enantiomer specifically binds to adenosine receptors in the central nervous system, which may explain some of its psychotropic effects. |
| Mechanism_of_action: | Mefloquine has been found to produce swelling of the Plasmodium falciparum food vacuoles. It may act by forming toxic complexes with free heme that damage membranes and interact with other plasmodial components. |
| Organisms_affected: | Plasmodium |
| Found: 205 nonactive as graph: single | with analogs | 1 2 3 4 5 6 7 8 9 10 Next >> [205] |
| Species: | 4932 |
| Condition: | AAT2 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.7313±0.0026163 |
| Normalized OD Score: sc h | 0.9964±0.00208967 |
| Z-Score: | -0.1900±0.11542 |
| p-Value: | 0.849786 |
| Z-Factor: | -66.0725 |
| Fitness Defect: | 0.1628 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 7 | 1 2 Next >> |
| 4046 | [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol |
| 40692 | (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-2-piperidyl]methanol |
| 65329 | (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-2-piperidyl]methanol hydrochloride |
| 441362 | [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol hydrochloride |
| 456309 | (R)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-2-piperidyl]methanol |
| 3000506 | (R)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-2-piperidyl]methanol |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 2932 | Additional Members: 3 | Rows returned: 0 |
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