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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:N-desethylamiodarone
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Accession:CHEBI:180711 term browser browse the term
Synonyms:exact_synonym: (2-butyl-1-benzouran-3-yl)-[4-[2-(ethylamino)ethoxy]-3,5-diiodophenyl]methanone
 related_synonym: Formula=C23H25I2NO3;   InChI=1S/C23H25I2NO3/c1-3-5-9-20-21(16-8-6-7-10-19(16)29-20)22(27)15-13-17(24)23(18(25)14-15)28-12-11-26-4-2/h6-8,10,13-14,26H,3-5,9,11-12H2,1-2H3;   InChIKey=VXOKDLACQICQFA-UHFFFAOYSA-N;   SMILES=IC1=CC(C(=O)C2=C(OC=3C2=CC=CC3)CCCC)=CC(I)=C1OCCNCC
 xref: CAS:83409-32-9;   Chemspider:94581;   HMDB:HMDB0060528
 xref_mesh: MESH:C036116


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N-desethylamiodarone 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 decreases activity
multiple interactions		 ISO desethylamiodarone results in decreased activity of ABCB1 protein
desethylamiodarone inhibits the reaction [ABCB1 protein results in increased transport of Daunorubicin]; desethylamiodarone inhibits the reaction [ABCB1 protein results in increased transport of Digoxin]		 CTD PMID:11231118 NCBI chr 4:25,357,467...25,529,941
Ensembl chr 4:25,158,362...25,442,709 		JBrowse link
G Agt angiotensinogen increases expression ISO desethylamiodarone results in increased expression of AGT mRNA CTD PMID:17214612 NCBI chr19:52,529,139...52,549,618
Ensembl chr19:52,529,185...52,540,977 		JBrowse link
G Cyp1a1 cytochrome P450, family 1, subfamily a, polypeptide 1 increases metabolic processing EXP CYP1A1 protein results in increased metabolism of desethylamiodarone CTD PMID:20362646 NCBI chr 8:58,096,021...58,102,130
Ensembl chr 8:58,096,077...58,102,125 		JBrowse link
G Cyp3a2 cytochrome P450, family 3, subfamily a, polypeptide 2 multiple interactions
increases metabolic processing
increases chemical synthesis		 ISO [desethylamiodarone co-treated with CYP3A4 protein] results in increased expression of CXCL8 mRNA; [desethylamiodarone co-treated with CYP3A4 protein] results in increased expression of ICAM1 protein; [desethylamiodarone co-treated with CYP3A4 protein] results in increased expression of TNF mRNA; [desethylamiodarone co-treated with CYP3A4 protein] results in increased secretion of CXCL8 protein; [desethylamiodarone co-treated with CYP3A4 protein] results in increased secretion of TNF protein; Ketoconazole inhibits the reaction [[desethylamiodarone co-treated with CYP3A4 protein] results in increased expression of CXCL8 mRNA]; Ketoconazole inhibits the reaction [[desethylamiodarone co-treated with CYP3A4 protein] results in increased expression of TNF mRNA]
CYP3A4 protein results in increased metabolism of desethylamiodarone
CYP3A4 protein results in increased chemical synthesis of desethylamiodarone		 CTD PMID:8445979 PMID:22785256 NCBI chr12:9,207,978...9,230,064
Ensembl chr12:9,015,383...9,285,008 		JBrowse link
G Icam1 intercellular adhesion molecule 1 multiple interactions ISO [desethylamiodarone co-treated with CYP3A4 protein] results in increased expression of ICAM1 protein CTD PMID:22785256 NCBI chr 8:19,553,063...19,565,438
Ensembl chr 8:19,553,645...19,565,438 		JBrowse link
G Ldlr low density lipoprotein receptor decreases expression
multiple interactions		 ISO desethylamiodarone results in decreased expression of LDLR mRNA
desethylamiodarone promotes the reaction [Triiodothyronine results in increased expression of LDLR mRNA]		 CTD PMID:9712728 NCBI chr 8:20,270,020...20,292,981
Ensembl chr 8:20,270,041...20,294,580 		JBrowse link
G Nos3 nitric oxide synthase 3 multiple interactions ISO desethylamiodarone promotes the reaction [NOS3 protein results in increased chemical synthesis of Nitric Oxide] CTD PMID:16479044 NCBI chr 4:10,793,834...10,814,170
Ensembl chr 4:10,793,834...10,814,166 		JBrowse link
G Thrb thyroid hormone receptor beta multiple interactions
affects binding		 EXP
ISO		 desethylamiodarone inhibits the reaction [Triiodothyronine binds to THRB protein]
desethylamiodarone inhibits the reaction [Triiodothyronine binds to THRB protein alternative form]
desethylamiodarone binds to THRB protein		 CTD PMID:8137729 PMID:12538616 NCBI chr15:7,685,180...8,031,920
Ensembl chr15:7,685,180...7,882,916 		JBrowse link
G Tnf tumor necrosis factor multiple interactions ISO [desethylamiodarone co-treated with CYP3A4 protein] results in increased expression of TNF mRNA; [desethylamiodarone co-treated with CYP3A4 protein] results in increased secretion of TNF protein; Ketoconazole inhibits the reaction [[desethylamiodarone co-treated with CYP3A4 protein] results in increased expression of TNF mRNA] CTD PMID:22785256 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
    chemical entity 19806
      group 19765
        inorganic group 19360
          oxo group 18869
            organic oxo compound 18869
              carbonyl compound 18869
                ketone 17165
                  aromatic ketone 12447
                    N-desethylamiodarone 9
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
                                  carbonyl compound 18869
                                    ketone 17165
                                      aromatic ketone 12447
                                        N-desethylamiodarone 9
paths to the root