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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:aliskiren
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Accession:CHEBI:601027 term browser browse the term
Definition:A monomethoxybenzene compound having a 3-methoxypropoxy group at the 2-position and a multi-substituted branched alkyl substituent at the 4-position.
Synonyms:exact_synonym: (2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[4-methoxy-3-(3-methoxypropoxy)benzyl]-8-methyl-2-(propan-2-yl)nonanamide
 related_synonym: Formula=C30H53N3O6;   InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1;   InChIKey=UXOWGYHJODZGMF-QORCZRPOSA-N;   SMILES=COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC;   SPP 100
 alt_id: CHEBI:41356;   CHEBI:580746
 xref: Beilstein:8740878;   CAS:173334-57-1;   DrugBank:DB01258;   Drug_Central:119;   KEGG:D03208;   LINCS:LSM-2653
 xref_mesh: MESH:C446481
 xref: PDBeChem:C41;   PMID:19358611;   PMID:19457666;   Wikipedia:Aliskiren


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aliskiren term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Abcb1a ATP binding cassette subfamily B member 1A affects response to substance EXP ABCB1 protein affects the susceptibility to aliskiren CTD PMID:24388840 NCBI chr 4:22,339,829...22,517,642
Ensembl chr 4:22,133,521...22,425,515
JBrowse link
G Agt angiotensinogen multiple interactions
decreases expression
EXP
ISO
aliskiren inhibits the reaction [Indomethacin results in increased expression of AGT protein]
aliskiren inhibits the reaction [microcystin RR results in increased expression of AGT protein]
aliskiren results in decreased expression of AGT protein modified form
CTD PMID:18829990, PMID:27645307, PMID:28330766 NCBI chr19:57,321,594...57,333,460
Ensembl chr19:57,321,640...57,333,433
JBrowse link
G Il1b interleukin 1 beta multiple interactions EXP aliskiren inhibits the reaction [Indomethacin results in increased expression of IL1B mRNA] CTD PMID:27645307 NCBI chr 3:121,876,256...121,882,637
Ensembl chr 3:121,876,263...121,882,726
JBrowse link
G Ptgs1 prostaglandin-endoperoxide synthase 1 multiple interactions EXP aliskiren inhibits the reaction [Indomethacin results in increased expression of PTGS1 mRNA] CTD PMID:27645307 NCBI chr 3:15,560,685...15,582,339
Ensembl chr 3:15,560,712...15,582,344
JBrowse link
G Ptgs2 prostaglandin-endoperoxide synthase 2 multiple interactions EXP aliskiren inhibits the reaction [Indomethacin results in increased expression of PTGS2 mRNA] CTD PMID:27645307 NCBI chr13:67,351,230...67,356,920
Ensembl chr13:67,351,087...67,359,335
JBrowse link
G Ren renin multiple interactions
decreases activity
ISO
EXP
[aliskiren co-treated with Atenolol] results in decreased activity of REN protein
aliskiren inhibits the reaction [Indomethacin results in increased expression of REN protein]
aliskiren results in decreased activity of REN protein
CTD PMID:18957387, PMID:27645307 NCBI chr13:50,502,724...50,513,953
Ensembl chr13:50,502,724...50,514,151
JBrowse link
G Tnf tumor necrosis factor multiple interactions EXP aliskiren inhibits the reaction [Indomethacin results in increased expression of TNF mRNA] CTD PMID:27645307 NCBI chr20:5,189,382...5,192,000
Ensembl chr20:5,189,390...5,192,000
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    role 19734
      application 19393
        pharmaceutical 19275
          drug 19275
            cardiovascular drug 7613
              antihypertensive agent 1676
                aliskiren 7
                  aliskiren fumarate 0
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 group 18495
                              organic divalent group 18488
                                organodiyl group 18488
                                  carbonyl group 18391
                                    carbonyl compound 18391
                                      carboxylic acid 18061
                                        carboacyl group 17348
                                          univalent carboacyl group 17348
                                            carbamoyl group 17134
                                              carboxamide 17134
                                                monocarboxylic acid amide 14553
                                                  aliskiren 7
                                                    aliskiren fumarate 0
paths to the root

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