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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:adapalene
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Accession:CHEBI:31174 term browser browse the term
Definition:A naphthoic acid that is CD437 in which the phenolic hydroxy group has been converted to its methyl ether.
Synonyms:exact_synonym: 6-(3-adamantan-1-yl-4-methoxyphenyl)naphthalene-2-carboxylic acid
 related_synonym: 6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic acid;   Adaferin;   Differine;   Formula=C28H28O3;   InChI=1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30);   InChIKey=LZCDAPDGXCYOEH-UHFFFAOYSA-N;   SMILES=C1C2(CC3CC(CC1C3)C2)C4=C(C=CC(=C4)C5=CC=C6C(=C5)C=CC(=C6)C(=O)O)OC;   adapaleno;   adapalenum
 xref: CAS:106685-40-9;   DrugBank:DB00210;   Drug_Central:87;   KEGG:D01112;   LINCS:LSM-37048
 xref_mesh: MESH:C063610
 xref: PMID:11594670;   PMID:12833014;   PMID:25016424;   PMID:26398439;   PMID:26483036;   Patent:EP199636;   Patent:US4717720;   Wikipedia:Adapalene


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adapalene term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cd1d1 CD1d1 molecule increases expression ISO Adapalene results in increased expression of CD1D protein CTD PMID:17518990 NCBI chr 2:172,423,582...172,427,089
Ensembl chr 2:172,423,582...172,427,089 		JBrowse link
G Crabp2 cellular retinoic acid binding protein 2 increases expression ISO Adapalene results in increased expression of CRABP2 mRNA CTD PMID:8396608 PMID:9990415 NCBI chr 2:173,417,004...173,421,352
Ensembl chr 2:173,416,857...173,421,379 		JBrowse link
G Il10 interleukin 10 decreases expression ISO Adapalene results in decreased expression of IL10 protein CTD PMID:17518990 NCBI chr13:42,472,625...42,477,308
Ensembl chr13:42,472,839...42,477,313 		JBrowse link
G Rarg retinoic acid receptor, gamma affects response to substance ISO RARG protein affects the susceptibility to Adapalene CTD PMID:9990413 NCBI chr 7:133,367,833...133,390,301
Ensembl chr 7:133,367,833...133,390,177 		JBrowse link
G Slc22a2 solute carrier family 22 member 2 multiple interactions ISO Adapalene inhibits the reaction [SLC22A2 protein results in increased uptake of 4-(4-dimethylaminostyryl)-1-methylpyridinium] CTD PMID:21599003 NCBI chr 1:48,121,061...48,163,268
Ensembl chr 1:48,121,061...48,163,268 		JBrowse link
G Tlr2 toll-like receptor 2 decreases expression ISO Adapalene results in decreased expression of TLR2 protein CTD PMID:17518990 NCBI chr 2:169,200,620...169,206,819
Ensembl chr 2:169,197,419...169,206,630 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19841
    role 19817
      application 19661
        anti-inflammatory agent 16598
          anti-inflammatory drug 14940
            non-steroidal anti-inflammatory drug 14255
              adapalene 6
Path 2
Term Annotations click to browse term
  CHEBI ontology 19841
    subatomic particle 19839
      composite particle 19839
        hadron 19839
          baryon 19839
            nucleon 19839
              atomic nucleus 19839
                atom 19839
                  main group element atom 19789
                    p-block element atom 19789
                      carbon group element atom 19737
                        carbon atom 19733
                          organic molecular entity 19733
                            organic molecule 19686
                              organic cyclic compound 19498
                                carbocyclic compound 18588
                                  carbopolycyclic compound 17178
                                    carbobicyclic compound 5882
                                      naphthalenes 3848
                                        naphthoic acid 44
                                          CD437 6
                                            adapalene 6
paths to the root