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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


show annotations for term's descendants           Sort by:
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 8:58,096,021...58,102,130
Ensembl chr 8:58,096,077...58,102,125 		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 8:58,075,367...58,082,255
Ensembl chr 8:58,075,367...58,082,312 		JBrowse link
G Cyp2c6 cytochrome P450, family 2, subfamily C, polypeptide 6 decreases methylation ISO CYP2C19 protein results in decreased methylation of almotriptan CTD PMID:12642466 NCBI chr 1:237,938,521...237,976,238
Ensembl chr 1:237,693,094...238,057,596 		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
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 7:113,882,584...113,891,754
Ensembl chr 7:113,881,618...113,891,759 		JBrowse link
G Cyp3a2 cytochrome P450, family 3, subfamily a, polypeptide 2 increases hydroxylation
decreases methylation		 ISO CYP3A4 protein results in increased hydroxylation of almotriptan
CYP3A4 protein results in decreased methylation of almotriptan		 CTD PMID:12642466 NCBI chr12:9,207,978...9,230,064
Ensembl chr12:9,015,383...9,285,008 		JBrowse link
G Fmo3 flavin containing dimethylaniline monoxygenase 3 increases oxidation ISO FMO3 protein results in increased oxidation of almotriptan CTD PMID:12642466 NCBI chr13:75,309,367...75,334,915
Ensembl chr13:75,309,374...75,328,028 		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 8:82,513,572...82,534,670
Ensembl chr 8:82,517,360...82,534,549 		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:6,032,172...6,098,308
Ensembl chr  X:6,030,795...6,099,593 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19880
    role 19850
      application 19695
        anti-inflammatory agent 16672
          anti-inflammatory drug 14964
            non-steroidal anti-inflammatory drug 14280
              almotriptan 9
                almotriptan malate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19880
    subatomic particle 19878
      composite particle 19878
        hadron 19878
          baryon 19878
            nucleon 19878
              atomic nucleus 19878
                atom 19878
                  main group element atom 19817
                    main group molecular entity 19817
                      s-block molecular entity 19653
                        hydrogen molecular entity 19634
                          hydrides 19144
                            inorganic hydride 18161
                              pnictogen hydride 18151
                                nitrogen hydride 18064
                                  azane 17872
                                    ammonia 17871
                                      organic amino compound 17871
                                        tertiary amino compound 10153
                                          tertiary amine 645
                                            almotriptan 9
                                              almotriptan malate 0
paths to the root