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ONTOLOGY REPORT - ANNOTATIONS


Term:3-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid
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Accession:CHEBI:75390 term browser browse the term
Definition:A member of the class of indoles that is 1H-indole substituted by a isopropyl group at position 5, a tert-butylsulfanediyl group at position 3, a 4-chlorobenzyl group at position 1 and a 2-carboxy-2-methylpropyl group at position 2. It acts as an inhibitor of arachidonate 5-lipoxygenase.
Synonyms:related_synonym: 3-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-isopropyl-1H-indol-2-yl]-2,2-dimethylpropanoic acid;   3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoic acid;   Formula=C27H34ClNO2S;   InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31);   InChIKey=QAOAOVKBIIKRNL-UHFFFAOYSA-N;   MK886;   SMILES=CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1
 xref: LINCS:LSM-37008
 xref_mesh: MESH:C060893
 xref: PMID:12080072 "Europe PMC";   PMID:19862483 "Europe PMC";   PMID:22962275 "Europe PMC";   PMID:23261452 "Europe PMC";   PMID:23305233 "Europe PMC";   Patent:US5081138;   Reaxys:7449132 "Reaxys"


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3-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Abcd2 ATP binding cassette subfamily D member 2 JBrowse link 7 132,294,564 132,343,169 RGD:6480464
G Acmsd aminocarboxymuconate semialdehyde decarboxylase JBrowse link 13 44,424,689 44,468,734 RGD:6480464
G Acox1 acyl-CoA oxidase 1 JBrowse link 10 104,724,534 104,748,003 RGD:6480464
G Acta2 actin alpha 2, smooth muscle JBrowse link 1 252,537,614 252,550,394 RGD:6480464
G Alox5 arachidonate 5-lipoxygenase JBrowse link 4 148,398,004 148,446,308 RGD:6480464
G Alox5ap arachidonate 5-lipoxygenase activating protein JBrowse link 12 6,854,930 6,879,112 RGD:6480464
G Apoa1 apolipoprotein A1 JBrowse link 8 50,525,091 50,526,875 RGD:6480464
G Bax BCL2 associated X, apoptosis regulator JBrowse link 1 101,451,801 101,457,207 RGD:6480464
G Bcl2 BCL2, apoptosis regulator JBrowse link 13 26,605,426 26,769,374 RGD:6480464
G Casp3 caspase 3 JBrowse link 16 48,845,011 48,863,249 RGD:6480464
G Ccl2 C-C motif chemokine ligand 2 JBrowse link 10 69,412,065 69,413,863 RGD:6480464
G Ccnd1 cyclin D1 JBrowse link 1 218,090,750 218,100,447 RGD:6480464
G Ccne1 cyclin E1 JBrowse link 1 94,485,830 94,495,112 RGD:6480464
G Cdh1 cadherin 1 JBrowse link 19 38,768,467 38,838,395 RGD:6480464
G Ctnnb1 catenin beta 1 JBrowse link 8 129,601,511 129,628,378 RGD:6480464
G Cyp1a1 cytochrome P450, family 1, subfamily a, polypeptide 1 JBrowse link 8 62,472,087 62,478,122 RGD:6480464
G E2f1 E2F transcription factor 1 JBrowse link 3 150,062,895 150,073,721 RGD:6480464
G Egr1 early growth response 1 JBrowse link 18 27,657,903 27,660,101 RGD:6480464
G Ephx2 epoxide hydrolase 2 JBrowse link 15 42,757,241 42,794,211 RGD:6480464
G F3 coagulation factor III, tissue factor JBrowse link 2 225,310,686 225,322,281 RGD:6480464
G Fa2h fatty acid 2-hydroxylase JBrowse link 19 43,545,380 43,596,788 RGD:6480464
G Il10 interleukin 10 JBrowse link 13 47,738,933 47,743,392 RGD:6480464
G Il6 interleukin 6 JBrowse link 4 3,043,231 3,047,807 RGD:6480464
G Lpl lipoprotein lipase JBrowse link 16 22,537,687 22,561,487 RGD:6480464
G Ltb4r leukotriene B4 receptor JBrowse link 15 34,449,299 34,453,352 RGD:6480464
G Map1lc3b microtubule-associated protein 1 light chain 3 beta JBrowse link 19 53,635,449 53,643,970 RGD:6480464
G Mmp7 matrix metallopeptidase 7 JBrowse link 8 5,893,253 5,900,965 RGD:6480464
G Mmp9 matrix metallopeptidase 9 JBrowse link 3 161,413,410 161,421,473 RGD:6480464
G Nos3 nitric oxide synthase 3 JBrowse link 4 7,321,908 7,342,404 RGD:6480464
G Pdk4 pyruvate dehydrogenase kinase 4 JBrowse link 4 30,546,772 30,556,774 RGD:6480464
G Pla2g4a phospholipase A2 group IVA JBrowse link 13 67,062,252 67,206,688 RGD:6480464
G Plau plasminogen activator, urokinase JBrowse link 15 3,644,296 3,650,765 RGD:6480464
G Plaur plasminogen activator, urokinase receptor JBrowse link 1 81,328,171 81,344,954 RGD:6480464
G Poli DNA polymerase iota JBrowse link 18 65,749,107 65,768,805 RGD:6480464
G Polk DNA polymerase kappa JBrowse link 2 27,305,718 27,364,906 RGD:6480464
G Polm DNA polymerase mu JBrowse link 14 86,069,378 86,079,327 RGD:6480464
G Ppara peroxisome proliferator activated receptor alpha JBrowse link 7 126,618,872 126,687,282 RGD:6480464
G Pparg peroxisome proliferator-activated receptor gamma JBrowse link 4 147,274,055 147,399,383 RGD:6480464
G Ptges prostaglandin E synthase JBrowse link 3 9,727,408 9,738,752 RGD:6480464
G Rb1 RB transcriptional corepressor 1 JBrowse link 15 55,081,582 55,209,060 RGD:6480464
G Rela RELA proto-oncogene, NF-kB subunit JBrowse link 1 220,992,770 221,003,249 RGD:6480464
G Rxra retinoid X receptor alpha JBrowse link 3 6,272,560 6,295,354 RGD:6480464
G S100b S100 calcium binding protein B JBrowse link 20 13,130,633 13,142,856 RGD:6480464
G Selp selectin P JBrowse link 13 82,428,914 82,464,629 RGD:6480464
G Sod2 superoxide dismutase 2 JBrowse link 1 47,914,757 47,921,587 RGD:6480464
G Tfdp1 transcription factor Dp-1 JBrowse link 16 81,088,642 81,127,244 RGD:6480464
G Tnf tumor necrosis factor JBrowse link 20 5,189,382 5,192,000 RGD:6480464
G Ucp2 uncoupling protein 2 JBrowse link 1 165,506,375 165,512,744 RGD:6480464

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Term Annotations click to browse term
  CHEBI ontology 19612
    role 19555
      application 19154
        pharmaceutical 19058
          drug 19058
            antineoplastic agent 16544
              3-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid 48
Path 2
Term Annotations click to browse term
  CHEBI ontology 19612
    subatomic particle 19608
      composite particle 19608
        hadron 19608
          baryon 19608
            nucleon 19608
              atomic nucleus 19608
                atom 19608
                  main group element atom 19487
                    p-block element atom 19487
                      carbon group element atom 19361
                        carbon atom 19353
                          organic molecular entity 19353
                            organic molecule 19271
                              organic cyclic compound 19060
                                organic heterocyclic compound 18129
                                  organic heteropolycyclic compound 17363
                                    organic heterobicyclic compound 15894
                                      benzopyrrole 5750
                                        indoles 5523
                                          3-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid 48
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.