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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: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;   CAS:136817-59-9;   DrugBank:DB00705;   Drug_Central:799;   KEGG:C06941;   KEGG:D07782
 xref_mesh: MESH:D020008
 xref: PDBeChem:SPP;   PMID:11124228;   PMID:11225565;   PMID:11327199;   PMID:11363651;   PMID:11363709;   PMID:11364022;   PMID:11364099;   PMID:11364363;   PMID:11364481;   PMID:11590527;   PMID:16449090;   PMID:21080015;   PMID:21683601;   PMID:21865017;   Patent:WO9109849;   Reaxys:6356813;   Wikipedia:Delavirdine


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delavirdine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cyp2c11 cytochrome P450, subfamily 2, polypeptide 11 decreases activity ISO Delavirdine results in decreased activity of CYP2C9 protein CTD PMID:11225565 NCBI chr 1:257,676,172...258,004,428
Ensembl chr 1:257,970,345...258,004,434
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G Cyp2c6v1 cytochrome P450, family 2, subfamily C, polypeptide 6, variant 1 decreases activity ISO Delavirdine results in decreased activity of CYP2C19 protein CTD PMID:11225565 NCBI chr 1:147,713,879...147,814,410
Ensembl chr 1:147,713,892...147,888,007
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19853
    role 19804
      biological role 19804
        antimicrobial agent 17392
          antiviral agent 10262
            antiviral drug 1834
              delavirdine 2
                delavirdine mesylate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19853
    subatomic particle 19851
      composite particle 19851
        hadron 19851
          baryon 19851
            nucleon 19851
              atomic nucleus 19851
                atom 19851
                  main group element atom 19744
                    p-block element atom 19744
                      carbon group element atom 19650
                        carbon atom 19639
                          organic molecular entity 19639
                            organic group 18550
                              organic divalent group 18541
                                organodiyl group 18541
                                  carbonyl group 18447
                                    carbonyl compound 18447
                                      carboxylic acid 18125
                                        carboacyl group 17383
                                          univalent carboacyl group 17383
                                            carbamoyl group 17166
                                              carboxamide 17166
                                                monocarboxylic acid amide 14586
                                                  indolecarboxamide 5
                                                    delavirdine 2
                                                      delavirdine mesylate 0
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