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ICI D1694 - Ontology Report - Rat Genome Database

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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:ICI D1694
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Accession:CHEBI:5847 term browser browse the term
Definition:A N-acyl-amino acid that has formula C21H22N4O6S.
Synonyms:related_synonym: D-1694;   Formula=C21H22N4O6S;   InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1;   InChIKey=IVTVGDXNLFLDRM-HNNXBMFYSA-N;   Raltitrexed;   SMILES=CN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(s1)C(=O)N[C@@H](CCC(O)=O)C(O)=O;   Tomudex;   ZD-1694;   ZD1694
 xref: CAS:112887-68-0;   Drug_Central:2353;   HMDB:HMDB0014438;   KEGG:C11372;   KEGG:D01064
 xref_mesh: MESH:C068874
 xref: PDBeChem:D16

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ICI D1694 term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Anxa2 annexin A2 increases expression
multiple interactions 		ISO raltitrexed results in increased expression of ANXA2 mRNA
TYMS protein inhibits the reaction [raltitrexed results in increased expression of ANXA2 mRNA] 		CTD PMID:15152939 NCBI chr 8:78,986,252...79,022,638
Ensembl chr 8:70,105,253...70,141,658 		JBrowse link
G Fas Fas cell surface death receptor increases expression
multiple interactions 		ISO raltitrexed results in increased expression of FAS mRNA; raltitrexed results in increased expression of FAS protein
raltitrexed results in increased expression of and results in increased localization of FAS protein; STAT1 protein promotes the reaction [raltitrexed results in increased localization of FAS protein]; TP53 protein affects the reaction [raltitrexed results in increased expression of FAS protein]; TYMS protein inhibits the reaction [raltitrexed results in increased expression of FAS protein] 		CTD PMID:15161716 PMID:16204068 NCBI chr 1:241,212,155...241,245,774
Ensembl chr 1:231,798,960...231,832,591 		JBrowse link
G Folr1 folate receptor alpha increases response to substance ISO FOLR1 protein results in increased susceptibility to raltitrexed CTD PMID:21879757 NCBI chr 1:165,631,462...165,650,430
Ensembl chr 1:156,219,460...156,230,667 		JBrowse link
G Fxyd3 FXYD domain-containing ion transport regulator 3 increases expression ISO raltitrexed results in increased expression of FXYD3 mRNA CTD PMID:15152939 NCBI chr 1:86,305,531...86,312,455 JBrowse link
G Hspe1 heat shock protein family E (Hsp10) member 1 increases expression ISO raltitrexed results in increased expression of HSPE1 mRNA CTD PMID:15152939 NCBI chr 9:64,084,327...64,087,415
Ensembl chr 9:56,589,789...56,593,089 		JBrowse link
G Sat1 spermidine/spermine N1-acetyl transferase 1 increases expression
multiple interactions 		ISO raltitrexed results in increased expression of SAT1 mRNA
TYMS protein inhibits the reaction [raltitrexed results in increased expression of SAT1 mRNA] 		CTD PMID:15152939 NCBI chr  X:44,008,089...44,011,376
Ensembl chr  X:40,157,046...40,196,813 		JBrowse link
G Slc19a1 solute carrier family 19 member 1 increases response to substance
multiple interactions
decreases response to substance 		ISO SLC19A1 protein results in increased susceptibility to raltitrexed
raltitrexed inhibits the reaction [SLC19A1 protein results in increased transport of Methotrexate]
SLC19A1 exon mutant form results in decreased susceptibility to raltitrexed 		CTD PMID:16505119 PMID:21879757 NCBI chr20:11,583,928...11,601,959
Ensembl chr20:11,584,411...11,601,972 		JBrowse link
G Slc46a1 solute carrier family 46 member 1 increases response to substance ISO SLC46A1 protein results in increased susceptibility to raltitrexed CTD PMID:21879757 NCBI chr10:63,859,551...63,865,987
Ensembl chr10:63,361,486...63,368,848 		JBrowse link
G Stat1 signal transducer and activator of transcription 1 multiple interactions
increases phosphorylation 		ISO STAT1 protein promotes the reaction [raltitrexed results in increased localization of FAS protein]; TP53 protein inhibits the reaction [raltitrexed results in increased phosphorylation of STAT1 protein] CTD PMID:16204068 NCBI chr 9:56,911,522...56,951,926
Ensembl chr 9:49,419,340...49,588,540 		JBrowse link
G Tmsb10 thymosin, beta 10 increases expression ISO raltitrexed results in increased expression of TMSB10 mRNA CTD PMID:15152939 NCBI chr 4:105,009,959...105,011,095
Ensembl chr 4:105,009,212...105,011,028 		JBrowse link
G Tp53 tumor protein p53 multiple interactions
affects response to substance 		ISO TP53 protein affects the reaction [raltitrexed results in increased expression of FAS protein]; TP53 protein inhibits the reaction [raltitrexed results in increased phosphorylation of STAT1 protein]
TP53 protein affects the susceptibility to raltitrexed 		CTD PMID:15161716 PMID:16204068 PMID:17339891 NCBI chr10:54,798,871...54,810,300
Ensembl chr10:54,300,048...54,311,524 		JBrowse link
G Tyms thymidylate synthetase decreases activity
affects response to substance
multiple interactions 		ISO raltitrexed results in decreased activity of TYMS protein
TYMS protein affects the susceptibility to raltitrexed
TYMS protein inhibits the reaction [raltitrexed results in increased expression of ANXA2 mRNA]; TYMS protein inhibits the reaction [raltitrexed results in increased expression of FAS protein]; TYMS protein inhibits the reaction [raltitrexed results in increased expression of SAT1 mRNA] 		CTD PMID:10482907 PMID:15152939 PMID:15161716 PMID:17339891 NCBI chr 9:120,760,057...120,776,149
Ensembl chr 9:113,313,452...113,329,536 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19887
    role 19858
      application 19697
        NMR chemical shift reference compound 18070
          ammonia 17868
            organic amino compound 17868
              amino acid 16061
                N-acyl-amino acid 10141
                  ICI D1694 12
Path 2
Term Annotations click to browse term
  CHEBI ontology 19887
    subatomic particle 19885
      composite particle 19885
        hadron 19885
          baryon 19885
            nucleon 19885
              atomic nucleus 19885
                atom 19885
                  main group element atom 19824
                    p-block element atom 19824
                      carbon group element atom 19763
                        carbon atom 19760
                          organic molecular entity 19760
                            heteroorganic entity 19521
                              organochalcogen compound 19282
                                organooxygen compound 19197
                                  carbon oxoacid 18676
                                    carboxylic acid 18673
                                      carboacyl group 17700
                                        univalent carboacyl group 17700
                                          carbamoyl group 17545
                                            carboxamide 17545
                                              N-acyl-amino acid 10141
                                                ICI D1694 12
paths to the root