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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:almotriptan
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Accession:CHEBI:520985 term browser browse the term
Definition:An indole compound having a 2-(dimethylamino)ethyl group at the 3-position and a (pyrrolidin-1-ylsulfonyl)methyl group at the 5-position.
Synonyms:exact_synonym: N,N-dimethyl-2-{5-[(pyrrolidin-1-ylsulfonyl)methyl]-1H-indol-3-yl}ethanamine
 related_synonym: 1-(((3-(2-(Dimethylamino)ethyl)indol-5-yl)methyl)sulfonyl)pyrrolidine;   Formula=C17H25N3O2S;   InChI=1S/C17H25N3O2S/c1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20/h5-6,11-12,18H,3-4,7-10,13H2,1-2H3;   InChIKey=WKEMJKQOLOHJLZ-UHFFFAOYSA-N;   SMILES=CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12
 xref: Beilstein:8789271;   CAS:154323-57-6;   DrugBank:DB00918;   Drug_Central:128;   KEGG:D02824;   LINCS:LSM-25659
 xref_mesh: MESH:C409045
 xref: PMID:17870541;   Patent:US5565447;   Patent:WO942460;   Wikipedia:Almotriptan


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almotriptan term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cyp1a1 cytochrome P450, family 1, subfamily a, polypeptide 1 decreases methylation
increases hydroxylation
increases metabolic processing
ISO CYP1A1 protein results in decreased methylation of almotriptan
CYP1A1 protein results in increased hydroxylation of almotriptan
CYP1A1 protein results in increased metabolism of almotriptan
CTD PMID:12642466 NCBI chr 8:62,472,087...62,478,122
Ensembl chr 8:62,472,095...62,478,147
JBrowse link
G Cyp1a2 cytochrome P450, family 1, subfamily a, polypeptide 2 decreases methylation ISO CYP1A2 protein results in decreased methylation of almotriptan CTD PMID:12642466 NCBI chr 8:62,451,360...62,458,244
Ensembl chr 8:62,451,329...62,458,301
JBrowse link
G Cyp2c6v1 cytochrome P450, family 2, subfamily C, polypeptide 6, variant 1 decreases methylation ISO CYP2C19 protein results in decreased methylation of almotriptan CTD PMID:12642466 NCBI chr 1:147,713,879...147,814,410
Ensembl chr 1:147,713,892...147,888,007
JBrowse link
G Cyp2c79 cytochrome P450, family 2, subfamily c, polypeptide 79 decreases methylation ISO CYP2C8 protein results in decreased methylation of almotriptan CTD PMID:12642466 NCBI chr 1:147,236,480...147,307,988 JBrowse link
G Cyp2d4 cytochrome P450, family 2, subfamily d, polypeptide 4 decreases methylation
increases hydroxylation
ISO CYP2D6 protein results in decreased methylation of almotriptan
CYP2D6 protein results in increased hydroxylation of almotriptan
CTD PMID:12642466 NCBI chr 7:123,599,264...123,608,436
Ensembl chr 7:123,599,266...123,608,436
JBrowse link
G Fmo3 flavin containing dimethylaniline monoxygenase 3 increases oxidation ISO FMO3 protein results in increased oxidation of almotriptan CTD PMID:12642466 NCBI chr13:80,837,418...80,856,214
Ensembl chr13:80,837,420...80,862,963
JBrowse link
G Htr1b 5-hydroxytryptamine receptor 1B multiple interactions ISO HTR1B affects the reaction [almotriptan inhibits the reaction [Colforsin results in increased abundance of Cyclic AMP]] CTD PMID:11134654 NCBI chr 8:89,113,984...89,130,830
Ensembl chr 8:89,129,453...89,130,991
JBrowse link
G Maoa monoamine oxidase A increases metabolic processing ISO MAOA protein results in increased metabolism of almotriptan CTD PMID:12642466 NCBI chr  X:6,554,698...6,620,722
Ensembl chr  X:6,554,698...6,620,722
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19781
    role 19726
      application 19412
        anti-inflammatory agent 15759
          anti-inflammatory drug 13624
            non-steroidal anti-inflammatory drug 12714
              almotriptan 8
                almotriptan malate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19781
    subatomic particle 19779
      composite particle 19779
        hadron 19779
          baryon 19779
            nucleon 19779
              atomic nucleus 19779
                atom 19779
                  main group element atom 19669
                    main group molecular entity 19669
                      s-block molecular entity 19434
                        hydrogen molecular entity 19429
                          hydrides 18757
                            inorganic hydride 17455
                              pnictogen hydride 17431
                                nitrogen hydride 17278
                                  azane 17010
                                    ammonia 17009
                                      organic amino compound 17008
                                        tertiary amino compound 8673
                                          tertiary amine 618
                                            almotriptan 8
                                              almotriptan malate 0
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