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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


show annotations for term's descendants           Sort by:
 
[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 chr10:549,537...672,235
Ensembl chr10:549,883...672,196
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 chr15:103,695,415...103,927,980
Ensembl chr15:103,696,557...103,927,592
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 4:7,355,066...7,387,282
Ensembl chr 4:7,355,574...7,387,253
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 chr15:42,827,306...42,947,796
Ensembl chr15:42,827,310...42,947,656
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 1:48,273,639...48,300,645
Ensembl chr 1:48,273,611...48,300,655
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 1:48,318,025...48,360,219
Ensembl chr 1:48,317,995...48,360,261
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 4:175,969,549...176,026,227
Ensembl chr 4:175,969,549...176,026,163
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 1:164,623,313...164,671,612
Ensembl chr 1:164,623,599...164,671,577
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 chr10:549,537...672,235
Ensembl chr10:549,883...672,196
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 chr15:103,695,415...103,927,980
Ensembl chr15:103,696,557...103,927,592
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 4:7,355,066...7,387,282
Ensembl chr 4:7,355,574...7,387,253
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 chr15:42,827,306...42,947,796
Ensembl chr15:42,827,310...42,947,656
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 1:48,273,639...48,300,645
Ensembl chr 1:48,273,611...48,300,655
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 1:48,318,025...48,360,219
Ensembl chr 1:48,317,995...48,360,261
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 4:175,969,549...176,026,227
Ensembl chr 4:175,969,549...176,026,163
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 1:164,623,313...164,671,612
Ensembl chr 1:164,623,599...164,671,577
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    chemical entity 19787
      molecular entity 19784
        polyatomic entity 19697
          heteroatomic molecular entity 19622
            halide 17976
              organohalogen compound 17712
                organofluorine compound 10810
                  [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol 8
                    (+)-(11R,2'S)-erythro-mefloquine + 8
                    (-)-(11S,2'R)-erythro-mefloquine + 8
Path 2
Term Annotations click to browse term
  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19574
                        carbon atom 19563
                          organic molecular entity 19563
                            organic molecule 19488
                              organic cyclic compound 19285
                                organic heterocyclic compound 18410
                                  organic heteromonocyclic compound 16445
                                    piperidines 7440
                                      [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol 8
                                        (+)-(11R,2'S)-erythro-mefloquine + 8
                                        (-)-(11S,2'R)-erythro-mefloquine + 8
paths to the root

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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.