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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:Niguldipine
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Accession:CHEBI:7572 term browser browse the term
Definition:A diarylmethane that has formula C36H39N3O6.
Synonyms:related_synonym: Dexniguldipine;   Formula=C36H39N3O6;   InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3;   InChIKey=SVJMLYUFVDMUHP-UHFFFAOYSA-N;   SMILES=COC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1
 xref: CAS:102993-22-6;   KEGG:C11236;   LINCS:LSM-1688
 xref_mesh: MESH:C054074



show annotations for term's descendants           Sort by:
Niguldipine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Adra1a adrenoceptor alpha 1A affects binding ISO niguldipine binds to ADRA1A protein CTD PMID:8183249 NCBI chr15:40,830,125...40,935,902
Ensembl chr15:40,832,534...40,927,500
JBrowse link
G Kcnh2 potassium voltage-gated channel subfamily H member 2 decreases activity ISO niguldipine results in decreased activity of KCNH2 protein CTD PMID:28551711 NCBI chr 4:10,826,834...10,859,009
Ensembl chr 4:10,826,928...10,859,008
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19878
    chemical entity 19876
      group 19829
        polyatomic entity 19828
          molecule 19719
            cyclic compound 19511
              organic cyclic compound 19493
                organic aromatic compound 19357
                  diarylmethane 9443
                    Niguldipine 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19878
    subatomic particle 19876
      composite particle 19876
        hadron 19876
          baryon 19876
            nucleon 19876
              atomic nucleus 19876
                atom 19876
                  main group element atom 19815
                    p-block element atom 19815
                      p-block molecular entity 19815
                        carbon group molecular entity 19755
                          organic molecular entity 19752
                            organic molecule 19704
                              organic cyclic compound 19493
                                organic aromatic compound 19357
                                  diarylmethane 9443
                                    Niguldipine 2
paths to the root