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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol
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Accession:CHEBI:63681 term browser browse the term
Definition:An organofluorine compound that consists of quinoline bearing trifluoromethyl substituents at positions 2 and 8 as well as a (2-piperidinyl)hydroxymethyl substituent at position 4.
Synonyms:exact_synonym: [2,8-bis(trifluoromethyl)quinolin-4-yl](piperidin-2-yl)methanol
 related_synonym: Formula=C17H16F6N2O;   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;   InChIKey=XEEQGYMUWCZPDN-UHFFFAOYSA-N;   SMILES=OC(C1CCCCN1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F;   alpha-2-Piperidinyl-2,8-bis(trifluoromethyl)-4-quinolinemethanol
 xref: CAS:49752-90-1;   CAS:53230-10-7;   KEGG:C07633;   KEGG:D04895;   LINCS:LSM-5180
 xref_mesh: MESH:D015767
 xref: Reaxys:766168


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[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Abcc1 ATP binding cassette subfamily C member 1 multiple interactions
decreases activity
ISO Mefloquine inhibits the reaction [ABCC1 protein affects the export of fluorexon]; Mefloquine inhibits the reaction [ABCC1 protein affects the transport of S-(2,4-dinitrophenyl)glutathione]; Mefloquine inhibits the reaction [Prostaglandins E results in increased activity of ABCC1 protein]; Mefloquine inhibits the reaction [Quercetin results in increased activity of ABCC1 protein]
Mefloquine results in decreased activity of ABCC1 protein
CTD PMID:16004972 NCBI chr10:528,961...655,179
Ensembl chr10:531,812...655,114
JBrowse link
G Abcc4 ATP binding cassette subfamily C member 4 multiple interactions
decreases activity
ISO Mefloquine inhibits the reaction [ABCC4 protein affects the export of 2',7'-bis(carboxyethyl)-5(6)-carboxyfluorescein]; Mefloquine inhibits the reaction [Prostaglandins E results in increased activity of ABCC4 protein]; Mefloquine inhibits the reaction [Quercetin results in increased activity of ABCC4 protein]
Mefloquine results in decreased activity of ABCC4 protein
CTD PMID:16004972 NCBI chr15:95,541,186...95,774,898
Ensembl chr15:95,542,315...95,774,283
JBrowse link
G Atf3 activating transcription factor 3 increases expression ISO Mefloquine results in increased expression of ATF3 mRNA CTD PMID:32661532 NCBI chr13:102,751,278...102,800,520
Ensembl chr13:102,751,321...102,764,631
JBrowse link
G Cyp3a2 cytochrome P450, family 3, subfamily a, polypeptide 2 multiple interactions ISO Ketoconazole inhibits the reaction [CYP3A4 protein affects the metabolism of Mefloquine] CTD PMID:15896247 NCBI chr12:9,207,986...9,230,038
Ensembl chr12:9,015,383...9,285,008
JBrowse link
G Hmox1 heme oxygenase 1 increases expression
multiple interactions
ISO Mefloquine results in increased expression of HMOX1 mRNA
MTF1 protein affects the reaction [Mefloquine results in increased expression of HMOX1 mRNA]
CTD PMID:32661532 NCBI chr19:13,466,287...13,474,082
Ensembl chr19:13,467,244...13,474,079
JBrowse link
G Kcnh2 potassium voltage-gated channel subfamily H member 2 multiple interactions
decreases activity
ISO Mefloquine inhibits the reaction [KCNH2 protein results in increased transport of Thallium]
Mefloquine results in decreased activity of KCNH2 protein
CTD PMID:21158687 PMID:28551711 NCBI chr 4:10,826,834...10,859,009
Ensembl chr 4:10,826,928...10,859,008
JBrowse link
G Mt2A metallothionein 2A increases expression
multiple interactions
ISO Mefloquine results in increased expression of MT2A mRNA
MTF1 protein affects the reaction [Mefloquine results in increased expression of MT2A mRNA]
CTD PMID:32661532 NCBI chr19:10,832,009...10,832,783
Ensembl chr19:10,832,002...10,832,784
JBrowse link
G Mtf1 metal-regulatory transcription factor 1 multiple interactions ISO MTF1 protein affects the reaction [Mefloquine results in increased expression of HMOX1 mRNA]; MTF1 protein affects the reaction [Mefloquine results in increased expression of MT2A mRNA] CTD PMID:32661532 NCBI chr 5:137,062,319...137,107,136
Ensembl chr 5:137,062,376...137,107,136
JBrowse link
G Ptk2b protein tyrosine kinase 2 beta increases response to substance EXP PTK2B protein results in increased susceptibility to Mefloquine CTD PMID:21241737 NCBI chr15:40,360,722...40,481,235
Ensembl chr15:40,360,723...40,481,282
JBrowse link
G Slc22a1 solute carrier family 22 member 1 multiple interactions ISO Mefloquine inhibits the reaction [SLC22A1 protein results in increased uptake of 1-Methyl-4-phenylpyridinium] CTD PMID:27504015 NCBI chr 1:48,076,657...48,103,679
Ensembl chr 1:48,076,666...48,103,678
JBrowse link
G Slc22a2 solute carrier family 22 member 2 multiple interactions ISO Mefloquine inhibits the reaction [SLC22A2 protein results in increased uptake of 1-Methyl-4-phenylpyridinium] CTD PMID:27504015 NCBI chr 1:48,121,061...48,163,268
Ensembl chr 1:48,121,061...48,163,268
JBrowse link
G Slco1a4 solute carrier organic anion transporter family, member 1a4 multiple interactions ISO Mefloquine inhibits the reaction [SLCO1A2 protein results in increased uptake of estrone sulfate] CTD PMID:27504015 NCBI chr 4:174,710,004...174,764,810
Ensembl chr 4:174,710,004...175,254,573
JBrowse link
G Slco2b1 solute carrier organic anion transporter family, member 2b1 multiple interactions ISO Mefloquine affects the reaction [SLCO2B1 protein results in increased uptake of estrone sulfate] CTD PMID:27504015 NCBI chr 1:153,959,288...154,007,294
Ensembl chr 1:153,959,293...154,007,353
JBrowse link
mefloquine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Abcc1 ATP binding cassette subfamily C member 1 multiple interactions
decreases activity
ISO Mefloquine inhibits the reaction [ABCC1 protein affects the export of fluorexon]; Mefloquine inhibits the reaction [ABCC1 protein affects the transport of S-(2,4-dinitrophenyl)glutathione]; Mefloquine inhibits the reaction [Prostaglandins E results in increased activity of ABCC1 protein]; Mefloquine inhibits the reaction [Quercetin results in increased activity of ABCC1 protein]
Mefloquine results in decreased activity of ABCC1 protein
CTD PMID:16004972 NCBI chr10:528,961...655,179
Ensembl chr10:531,812...655,114
JBrowse link
G Abcc4 ATP binding cassette subfamily C member 4 multiple interactions
decreases activity
ISO Mefloquine inhibits the reaction [ABCC4 protein affects the export of 2',7'-bis(carboxyethyl)-5(6)-carboxyfluorescein]; Mefloquine inhibits the reaction [Prostaglandins E results in increased activity of ABCC4 protein]; Mefloquine inhibits the reaction [Quercetin results in increased activity of ABCC4 protein]
Mefloquine results in decreased activity of ABCC4 protein
CTD PMID:16004972 NCBI chr15:95,541,186...95,774,898
Ensembl chr15:95,542,315...95,774,283
JBrowse link
G Atf3 activating transcription factor 3 increases expression ISO Mefloquine results in increased expression of ATF3 mRNA CTD PMID:32661532 NCBI chr13:102,751,278...102,800,520
Ensembl chr13:102,751,321...102,764,631
JBrowse link
G Cyp3a2 cytochrome P450, family 3, subfamily a, polypeptide 2 multiple interactions ISO Ketoconazole inhibits the reaction [CYP3A4 protein affects the metabolism of Mefloquine] CTD PMID:15896247 NCBI chr12:9,207,986...9,230,038
Ensembl chr12:9,015,383...9,285,008
JBrowse link
G Hmox1 heme oxygenase 1 increases expression
multiple interactions
ISO Mefloquine results in increased expression of HMOX1 mRNA
MTF1 protein affects the reaction [Mefloquine results in increased expression of HMOX1 mRNA]
CTD PMID:32661532 NCBI chr19:13,466,287...13,474,082
Ensembl chr19:13,467,244...13,474,079
JBrowse link
G Kcnh2 potassium voltage-gated channel subfamily H member 2 multiple interactions
decreases activity
ISO Mefloquine inhibits the reaction [KCNH2 protein results in increased transport of Thallium]
Mefloquine results in decreased activity of KCNH2 protein
CTD PMID:21158687 PMID:28551711 NCBI chr 4:10,826,834...10,859,009
Ensembl chr 4:10,826,928...10,859,008
JBrowse link
G Mt2A metallothionein 2A increases expression
multiple interactions
ISO Mefloquine results in increased expression of MT2A mRNA
MTF1 protein affects the reaction [Mefloquine results in increased expression of MT2A mRNA]
CTD PMID:32661532 NCBI chr19:10,832,009...10,832,783
Ensembl chr19:10,832,002...10,832,784
JBrowse link
G Mtf1 metal-regulatory transcription factor 1 multiple interactions ISO MTF1 protein affects the reaction [Mefloquine results in increased expression of HMOX1 mRNA]; MTF1 protein affects the reaction [Mefloquine results in increased expression of MT2A mRNA] CTD PMID:32661532 NCBI chr 5:137,062,319...137,107,136
Ensembl chr 5:137,062,376...137,107,136
JBrowse link
G Ptk2b protein tyrosine kinase 2 beta increases response to substance EXP PTK2B protein results in increased susceptibility to Mefloquine CTD PMID:21241737 NCBI chr15:40,360,722...40,481,235
Ensembl chr15:40,360,723...40,481,282
JBrowse link
G Slc22a1 solute carrier family 22 member 1 multiple interactions ISO Mefloquine inhibits the reaction [SLC22A1 protein results in increased uptake of 1-Methyl-4-phenylpyridinium] CTD PMID:27504015 NCBI chr 1:48,076,657...48,103,679
Ensembl chr 1:48,076,666...48,103,678
JBrowse link
G Slc22a2 solute carrier family 22 member 2 multiple interactions ISO Mefloquine inhibits the reaction [SLC22A2 protein results in increased uptake of 1-Methyl-4-phenylpyridinium] CTD PMID:27504015 NCBI chr 1:48,121,061...48,163,268
Ensembl chr 1:48,121,061...48,163,268
JBrowse link
G Slco1a4 solute carrier organic anion transporter family, member 1a4 multiple interactions ISO Mefloquine inhibits the reaction [SLCO1A2 protein results in increased uptake of estrone sulfate] CTD PMID:27504015 NCBI chr 4:174,710,004...174,764,810
Ensembl chr 4:174,710,004...175,254,573
JBrowse link
G Slco2b1 solute carrier organic anion transporter family, member 2b1 multiple interactions ISO Mefloquine affects the reaction [SLCO2B1 protein results in increased uptake of estrone sulfate] CTD PMID:27504015 NCBI chr 1:153,959,288...154,007,294
Ensembl chr 1:153,959,293...154,007,353
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19812
    chemical entity 19812
      molecular entity 19811
        polyatomic entity 19732
          heteroatomic molecular entity 19673
            halide 18137
              organohalogen compound 17913
                organofluorine compound 11007
                  [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol 13
                    (+)-(11R,2'S)-erythro-mefloquine + 13
                    (-)-(11S,2'R)-erythro-mefloquine + 13
Path 2
Term Annotations click to browse term
  CHEBI ontology 19812
    subatomic particle 19811
      composite particle 19811
        hadron 19811
          baryon 19811
            nucleon 19811
              atomic nucleus 19811
                atom 19811
                  main group element atom 19708
                    p-block element atom 19708
                      carbon group element atom 19630
                        carbon atom 19620
                          organic molecular entity 19620
                            organic molecule 19560
                              organic cyclic compound 19351
                                organic heterocyclic compound 18582
                                  organic heteromonocyclic compound 17081
                                    piperidines 7570
                                      [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol 13
                                        (+)-(11R,2'S)-erythro-mefloquine + 13
                                        (-)-(11S,2'R)-erythro-mefloquine + 13
paths to the root