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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 4:25,357,467...25,529,941
Ensembl chr 4:25,158,362...25,442,709
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 chr19:52,529,139...52,549,618
Ensembl chr19:52,529,185...52,540,977
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 3:116,577,005...116,583,386
Ensembl chr 3:116,577,010...116,583,415
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 3:19,584,015...19,605,589
Ensembl chr 3:19,584,015...19,605,586
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 chr13:62,164,080...62,169,770
Ensembl chr13:62,163,932...62,172,188
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 chr13:44,796,260...44,807,491
Ensembl chr13:44,796,091...44,807,489
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 chr20:3,622,011...3,624,629
Ensembl chr20:3,622,011...3,624,629
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19821
    role 19769
      application 19481
        pharmaceutical 19329
          drug 19329
            cardiovascular drug 7683
              antihypertensive agent 1848
                aliskiren 7
                  aliskiren fumarate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19821
    subatomic particle 19819
      composite particle 19819
        hadron 19819
          baryon 19819
            nucleon 19819
              atomic nucleus 19819
                atom 19819
                  main group element atom 19716
                    p-block element atom 19716
                      carbon group element atom 19640
                        carbon atom 19630
                          organic molecular entity 19630
                            organic group 18737
                              organic divalent group 18728
                                organodiyl group 18728
                                  carbonyl group 18675
                                    carbonyl compound 18675
                                      carboxylic acid 18373
                                        carboacyl group 17485
                                          univalent carboacyl group 17485
                                            carbamoyl group 17299
                                              carboxamide 17299
                                                monocarboxylic acid amide 15008
                                                  aliskiren 7
                                                    aliskiren fumarate 0
paths to the root