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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 8:58,096,021...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 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 1:237,938,521...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 chr12:9,207,986...9,230,038
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...82,534,892
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 19818
    role 19790
      application 19622
        anti-inflammatory agent 16505
          anti-inflammatory drug 14949
            non-steroidal anti-inflammatory drug 14256
              almotriptan 9
                almotriptan malate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19818
    subatomic particle 19816
      composite particle 19816
        hadron 19816
          baryon 19816
            nucleon 19816
              atomic nucleus 19816
                atom 19816
                  main group element atom 19761
                    main group molecular entity 19761
                      s-block molecular entity 19612
                        hydrogen molecular entity 19601
                          hydrides 19077
                            inorganic hydride 17986
                              pnictogen hydride 17973
                                nitrogen hydride 17870
                                  azane 17655
                                    ammonia 17654
                                      organic amino compound 17654
                                        tertiary amino compound 9957
                                          tertiary amine 632
                                            almotriptan 9
                                              almotriptan malate 0
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