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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:N-desmethylclozapine
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Accession:CHEBI:64050 term browser browse the term
Definition:A dibenzodoazepine substituted with chloro and piperazino groups which is a major metabolite of clozapine; a potent and selective 5-HT2C serotonin receptor antagonist.
Synonyms:exact_synonym: 8-chloro-11-(piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine
 related_synonym: 8-Chloro-11-(1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine;   Demethylclozapine;   Desmethylclozapine;   Formula=C17H17ClN4;   InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2;   InChIKey=JNNOSTQEZICQQP-UHFFFAOYSA-N;   N-desmethyl clozapine;   NDMC;   Norclozapine;   SMILES=Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCNCC1
 xref: CAS:6104-71-8
 xref_mesh: MESH:C058272
 xref: PMID:20156258;   PMID:20463634;   PMID:21134422;   PMID:21658379;   PMID:21712711;   PMID:21726287;   PMID:21835172;   PMID:21855612;   PMID:21912901;   PMID:21917240;   Reaxys:762289;   Wikipedia:Desmethylclozapine


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N-desmethylclozapine 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 increases chemical synthesis ISO CYP1A1 protein results in increased chemical synthesis of norclozapine CTD PMID:18809730 NCBI chr 8:62,472,087...62,478,122
Ensembl chr 8:62,472,095...62,478,147
JBrowse link
G Cyp1a2 cytochrome P450, family 1, subfamily a, polypeptide 2 multiple interactions
increases chemical synthesis
increases metabolic processing
ISO [Ciprofloxacin results in decreased activity of CYP1A2 protein] which results in increased abundance of norclozapine; Fluvoxamine inhibits the reaction [CYP1A2 protein results in increased chemical synthesis of norclozapine]
CYP1A2 protein results in increased metabolism of norclozapine
CTD PMID:11151749 PMID:12969762 PMID:18809730 NCBI chr 8:62,451,360...62,458,244
Ensembl chr 8:62,451,329...62,458,301
JBrowse link
G Cyp1b1 cytochrome P450, family 1, subfamily b, polypeptide 1 increases chemical synthesis ISO CYP1B1 protein results in increased chemical synthesis of norclozapine CTD PMID:18809730 NCBI chr 6:2,308,179...2,316,739
Ensembl chr 6:2,307,808...2,316,722
JBrowse link
G Cyp2c6v1 cytochrome P450, family 2, subfamily C, polypeptide 6, variant 1 increases chemical synthesis ISO CYP2C19 protein results in increased chemical synthesis of norclozapine CTD PMID:18809730 NCBI chr 1:147,713,879...147,814,410
Ensembl chr 1:147,713,892...147,888,007
JBrowse link
G Cyp2c79 cytochrome P450, family 2, subfamily c, polypeptide 79 increases chemical synthesis ISO CYP2C8 protein results in increased chemical synthesis of norclozapine CTD PMID:18809730 NCBI chr 1:147,236,480...147,307,988 JBrowse link
G Cyp2d4 cytochrome P450, family 2, subfamily d, polypeptide 4 increases chemical synthesis ISO CYP2D6 protein results in increased chemical synthesis of norclozapine CTD PMID:18809730 NCBI chr 7:123,599,264...123,608,436
Ensembl chr 7:123,599,266...123,608,436
JBrowse link
G Cyp2j4 cytochrome P450, family 2, subfamily j, polypeptide 4 increases chemical synthesis ISO CYP2J2 protein results in increased chemical synthesis of norclozapine CTD PMID:18809730 NCBI chr 5:119,546,458...119,564,843
Ensembl chr 5:119,546,461...119,564,846
JBrowse link
G Cyp3a62 cytochrome P450, family 3, subfamily a, polypeptide 62 multiple interactions
increases chemical synthesis
ISO Ketoconazole inhibits the reaction [CYP3A4 protein results in increased chemical synthesis of norclozapine] CTD PMID:18809730 NCBI chr12:18,679,809...18,709,397
Ensembl chr12:18,678,594...18,709,397
JBrowse link
G Cyp3a9 cytochrome P450, family 3, subfamily a, polypeptide 9 increases chemical synthesis ISO CYP3A5 protein results in increased chemical synthesis of norclozapine CTD PMID:18809730 NCBI chr12:19,074,288...19,114,491
Ensembl chr12:19,074,583...19,114,399
JBrowse link
G Htr2a 5-hydroxytryptamine receptor 2A decreases expression ISO
EXP
norclozapine results in decreased expression of HTR2A mRNA
norclozapine results in decreased expression of HTR2A protein
CTD PMID:14751426 NCBI chr15:56,666,152...56,732,469
Ensembl chr15:56,666,012...56,735,382
JBrowse link

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  CHEBI ontology 19770
    role 19720
      biological role 19720
        biochemical role 19310
          metabolite 19292
            N-desmethylclozapine 10
Path 2
Term Annotations click to browse term
  CHEBI ontology 19770
    subatomic particle 19768
      composite particle 19768
        hadron 19768
          baryon 19768
            nucleon 19768
              atomic nucleus 19768
                atom 19768
                  main group element atom 19662
                    p-block element atom 19662
                      carbon group element atom 19580
                        carbon atom 19571
                          organic molecular entity 19571
                            organic molecule 19504
                              organic cyclic compound 19331
                                organic heterocyclic compound 18519
                                  organic heteropolycyclic compound 17978
                                    organic heterotricyclic compound 14600
                                      dibenzodiazepine 10
                                        N-desmethylclozapine 10
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