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ONTOLOGY REPORT - ANNOTATIONS


Term:delavirdine
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Accession:CHEBI:119573 term browser browse the term
Definition:The amide resulting from the formal condensation of 5-[(methylsulfonyl)amino]-1H-indole-2-carboxylic acid and 4-amino group of 1-[3-(isopropylamino)pyridin-2-yl]piperazine, delavirdine is a non-nucleoside reverse transcriptase inhibitor with activity specific for HIV-1. Viral resistance emerges rapidly when delavirdine is used alone, so it is therefore used (as the methanesulfonic acid salt) with other antiretrovirals for combination therapy of HIV infection.
Synonyms:exact_synonym: N-[2-({4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl}carbonyl)-1H-indol-5-yl]methanesulfonamide
 related_synonym: (N-[2-[4-[3-(1-methylethylamino)pyridin-2-yl]piperazin-1-yl]carbonyl-1H-indol-5-yl] methanesulfonamide);   1-(3-((1-methylethyl)amino)-2-pyridinyl)-4-((5-((methylsulfonyl)amino)-1H-indol-2-yl)carbonyl)piperazine;   2-(4-(5-methanesulfonamido-1H-indol-2-ylcarbonyl)-1-piperazinyl)-N-(1-methylethyl)-3-pyridinamine;   Formula=C22H28N6O3S;   InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3;   InChIKey=WHBIGIKBNXZKFE-UHFFFAOYSA-N;   N-(2-(1-(3-(isopropylamino)pyridin-2-yl)piperazine-4-carbonyl)-1H-indol-5-yl)methanesulfonamide;   SMILES=CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
 alt_id: CHEBI:4378;   CHEBI:45727
 xref: Beilstein:6356813 "Beilstein";   CAS:136817-59-9 "ChemIDplus";   CAS:136817-59-9 "KEGG COMPOUND";   DrugBank:DB00705;   Drug_Central:799 "DrugCentral";   KEGG:C06941;   KEGG:D07782
 xref_mesh: MESH:D020008
 xref: PDBeChem:SPP;   PMID:11124228 "Europe PMC";   PMID:11225565 "Europe PMC";   PMID:11327199 "Europe PMC";   PMID:11363651 "Europe PMC";   PMID:11363709 "Europe PMC";   PMID:11364022 "Europe PMC";   PMID:11364099 "Europe PMC";   PMID:11364363 "Europe PMC";   PMID:11364481 "Europe PMC";   PMID:11590527 "Europe PMC";   PMID:16449090 "Europe PMC";   PMID:21080015 "Europe PMC";   PMID:21683601 "Europe PMC";   PMID:21865017 "Europe PMC";   Patent:WO9109849;   Reaxys:6356813 "Reaxys";   Wikipedia:Delavirdine


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delavirdine term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Cyp2c6v1 cytochrome P450, family 2, subfamily C, polypeptide 6, variant 1 JBrowse link 1 147,713,879 147,814,410 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19669
    role 19613
      biological role 19611
        antimicrobial agent 17151
          antiviral agent 3602
            antiviral drug 1648
              delavirdine 1
                delavirdine mesylate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19669
    subatomic particle 19665
      composite particle 19665
        hadron 19665
          baryon 19665
            nucleon 19665
              atomic nucleus 19665
                atom 19665
                  main group element atom 19545
                    p-block element atom 19545
                      carbon group element atom 19428
                        carbon atom 19420
                          organic molecular entity 19420
                            organic group 18343
                              organic divalent group 18334
                                organodiyl group 18334
                                  carbonyl group 18222
                                    carbonyl compound 18222
                                      carboxylic acid 17923
                                        carboacyl group 16943
                                          univalent carboacyl group 16943
                                            carbamoyl group 16622
                                              carboxamide 16622
                                                monocarboxylic acid amide 13180
                                                  indolecarboxamide 4
                                                    delavirdine 1
                                                      delavirdine mesylate 0
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