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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 results in decreased expression of AGT protein modified form
aliskiren inhibits the reaction [microcystin RR results in increased expression of AGT protein]
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 Camk2d calcium/calmodulin-dependent protein kinase II delta multiple interactions EXP [Carvedilol co-treated with aliskiren] inhibits the reaction [Isoproterenol results in increased expression of CAMK2D protein]; aliskiren inhibits the reaction [Isoproterenol results in increased expression of CAMK2D protein] CTD PMID:26982530 NCBI chr 2:215,023,785...215,287,351
Ensembl chr 2:215,024,004...215,286,178
JBrowse link
G Casp3 caspase 3 multiple interactions EXP [Carvedilol co-treated with aliskiren] inhibits the reaction [Isoproterenol results in increased expression of CASP3 protein]; aliskiren inhibits the reaction [Isoproterenol results in increased expression of CASP3 protein] CTD PMID:26982530 NCBI chr16:45,662,910...45,681,171
Ensembl chr16:45,662,910...45,684,648
JBrowse link
G Ckm creatine kinase, M-type multiple interactions EXP [Carvedilol co-treated with aliskiren] inhibits the reaction [Isoproterenol results in increased expression of and results in increased secretion of CKM protein]; aliskiren inhibits the reaction [Isoproterenol results in increased expression of and results in increased secretion of CKM protein] CTD PMID:26982530 NCBI chr 1:79,061,390...79,071,721
Ensembl chr 1:79,061,456...79,071,720
JBrowse link
G Cyp1a1 cytochrome P450, family 1, subfamily a, polypeptide 1 decreases activity ISO aliskiren results in decreased activity of CYP1A1 protein CTD PMID:33814510 NCBI chr 8:58,096,021...58,102,130
Ensembl chr 8:58,096,077...58,102,125
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 chr13:62,163,936...62,172,193
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 results in decreased activity of REN protein
[aliskiren co-treated with Carvedilol] inhibits the reaction [Isoproterenol results in increased activity of REN protein]; aliskiren inhibits the reaction [Indomethacin results in increased expression of REN protein]; aliskiren inhibits the reaction [Isoproterenol results in increased activity of REN protein]
CTD PMID:18957387 PMID:26982530 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 19808
    role 19784
      application 19627
        pharmaceutical 19468
          drug 19468
            cardiovascular drug 8613
              antihypertensive agent 1943
                aliskiren 11
                  aliskiren fumarate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19808
    subatomic particle 19806
      composite particle 19806
        hadron 19806
          baryon 19806
            nucleon 19806
              atomic nucleus 19806
                atom 19806
                  main group element atom 19756
                    p-block element atom 19756
                      carbon group element atom 19705
                        carbon atom 19702
                          organic molecular entity 19702
                            heteroorganic entity 19460
                              organochalcogen compound 19224
                                organooxygen compound 19141
                                  carbon oxoacid 18612
                                    carboxylic acid 18609
                                      carboacyl group 17677
                                        univalent carboacyl group 17677
                                          carbamoyl group 17526
                                            carboxamide 17526
                                              monocarboxylic acid amide 15662
                                                aliskiren 11
                                                  aliskiren fumarate 0
paths to the root