General Information of the Compound
Compound ID
CP0064841
Compound Name
(2,8-Bis-trifluoromethyl-quinolin-4-yl)-(1-methyl-piperidin-2-yl)-methanol
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Synonyms
(+)-(11R,2'S)-erythro-Mefloquine
(+)-Mefloquine
(+)-Threo-Mefloquine
(-)-(11S,2'R)-erythro-Mefloquine
(-)-Mefloquine
(-)-Threo-Mefloquine
(DL-erythro-alpha-2-Piperidyl-2,8-bis(trifluoromethyl)-4-quinolinemethanol
(R)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol
(R)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol
(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol
(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol
(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl][(2R)-piperidin-2-yl]methanol
Alpha-2-Piperidinyl-2,8-bis(trifluoromethyl)-4-quinolinemethanol
Alpha-2-Piperidyl-2,8-bis(trifluoromethyl)quinoline-4-methanol
Erthro-.alpha.-[2-piperidyl]-2,8-bis[trifluoromethyl]-4-quinolinemethanol
Lariam
Lariam (Hydrochloride)
Lariam (TN)
Mefaquin (TN)
Mefloquin
Mefloquina
Mefloquina [INN-Spanish]
Mefloquine
Mefloquine (USAN/INN)
Mefloquine [USAN:INN:BAN]
Mefloquinone
Mefloquinum
Mefloquinum [INN-Latin]
Mephloquine
RO 13-7224
RO 13-7225
RTI1169-1-1
RTI1172-1-1
RTI1173-1-1
RTI1174-1-1
RTI1188-1-1
RTI1189-1-1
Racemic mefloquine
Ro 21-5998
Ro 21-5998 (Hydrochloride)
Ro 215998
Ro-21-5998-001
SPB-80406
WR 142490
WR-142,490
WR-142490
WR-177,602
[2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol
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Structure
Formula
C17H16F6N2O
Molecular Weight
378.316
Canonical SMILES
OC(C1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F
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InChI
InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2
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InChIKey
XEEQGYMUWCZPDN-UHFFFAOYSA-N
CAS
53230-10-7
49752-90-1
Physicochemical Property
logP
4.4479
Rotatable Bonds
2
Heavy Atom Count
26
Polar Areas
45.15
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
26

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 4046
SID: 14804464
ChEMBL ID
CHEMBL416956
DrugBank ID
DB00358
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 33498.3 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 5623.41 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2600 nM
2 IC50 = 5495.41 nM
3 IC50 = 5623.41 nM
Clinical Information about the Compound
Drug 1 ( Mefloquine )
Drug Name Mefloquine
Company Hoffmann-La Roche pharmaceutical company
Indication
Malaria
Approved
Drug 2 ( Mefloquine )
Drug Name Mefloquine
Company Hoffmann-La Roche pharmaceutical company
Indication
Malaria
Approved
Coronavirus Disease 2019 (COVID-19)
Phase 2
Severe acute respiratory syndrome (SARS)
Preclinical
Middle East Respiratory Syndrome (MERS)
Preclinical