Submit Data |  Help |  Video Tutorials |  News |  Publications |  FTP Download |  REST API |  Citing RGD |  Contact   

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
go back to main search page
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


show annotations for term's descendants           Sort by:
 
delavirdine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
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 19883
    role 19833
      biological role 19833
        antimicrobial agent 17416
          antiviral agent 10277
            antiviral drug 1841
              delavirdine 1
                delavirdine mesylate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19883
    subatomic particle 19881
      composite particle 19881
        hadron 19881
          baryon 19881
            nucleon 19881
              atomic nucleus 19881
                atom 19881
                  main group element atom 19771
                    p-block element atom 19771
                      carbon group element atom 19679
                        carbon atom 19668
                          organic molecular entity 19668
                            organic group 18580
                              organic divalent group 18571
                                organodiyl group 18571
                                  carbonyl group 18479
                                    carbonyl compound 18479
                                      carboxylic acid 18153
                                        carboacyl group 17410
                                          univalent carboacyl group 17410
                                            carbamoyl group 17192
                                              carboxamide 17192
                                                monocarboxylic acid amide 14620
                                                  indolecarboxamide 4
                                                    delavirdine 1
                                                      delavirdine mesylate 0
paths to the root