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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:roflumilast
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Accession:CHEBI:47657 term browser browse the term
Definition:A benzamide obtained by formal condensation of the carboxy group of 3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid with the amino group of 3,5-dichloropyridin-4-amine. Used for treatment of bronchial asthma and chronic obstructive pulmonary disease.
Synonyms:related_synonym: 3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE;   Daliresp;   Formula=C17H14Cl2F2N2O3;   InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24);   InChIKey=MNDBXUUTURYVHR-UHFFFAOYSA-N;   SMILES=FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl;   roflumilastum
 alt_id: MESH:C424423
 xref: CAS:162401-32-3;   Drug_Central:3531;   KEGG:D05744
 xref_mesh: MESH:C424423
 xref: PDBeChem:ROF;   PMID:21778965;   PMID:21913898;   PMID:21965226;   PMID:22041526;   PMID:22258322;   PMID:22284994;   PMID:22306235;   PMID:22364166;   PMID:22385203;   PMID:22421519;   PMID:22425388;   PMID:22433610;   PMID:22452977;   PMID:22500119;   PMID:22605906;   PMID:22723325;   PMID:22790061;   PMID:22791991;   PMID:22833385;   PMID:22952743;   PMID:22955248;   PMID:22997924;   Patent:US2008181876;   Patent:US2008221111;   Patent:WO2008017827;   Patent:WO2008090355;   Reaxys:9802592;   Wikipedia:Roflumilast


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roflumilast term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Akt1 AKT serine/threonine kinase 1 multiple interactions
increases phosphorylation
EXP 2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one inhibits the reaction [Roflumilast promotes the reaction [Nitroprusside results in increased phosphorylation of AKT1 protein]]; RAPGEF3 mutant form inhibits the reaction [Roflumilast results in increased phosphorylation of AKT1 protein]; Roflumilast promotes the reaction [Nitroprusside results in increased phosphorylation of AKT1 protein] CTD PMID:18276108 NCBI chr 6:137,218,398...137,239,970
Ensembl chr 6:137,218,376...137,236,258
JBrowse link
G Aqp1 aquaporin 1 multiple interactions ISO Roflumilast inhibits the reaction [[Vehicle Emissions results in increased abundance of Particulate Matter] which results in decreased expression of AQP1 protein] CTD PMID:31301536 NCBI chr 4:85,551,503...85,563,683
Ensembl chr 4:85,551,502...85,569,360
JBrowse link
G Aqp5 aquaporin 5 multiple interactions ISO Roflumilast inhibits the reaction [[Vehicle Emissions results in increased abundance of Particulate Matter] which results in decreased expression of AQP5 mRNA]; Roflumilast inhibits the reaction [[Vehicle Emissions results in increased abundance of Particulate Matter] which results in decreased expression of AQP5 protein] CTD PMID:31301536 NCBI chr 7:141,249,044...141,252,576
Ensembl chr 7:141,249,044...141,252,578
JBrowse link
G Ccl2 C-C motif chemokine ligand 2 multiple interactions ISO Dinoprostone inhibits the reaction [Indomethacin inhibits the reaction [Roflumilast inhibits the reaction [Lipopolysaccharides results in increased secretion of CCL2 protein]]]; Dinoprostone promotes the reaction [Roflumilast inhibits the reaction [Lipopolysaccharides results in increased secretion of CCL2 protein]]; Indomethacin inhibits the reaction [Roflumilast inhibits the reaction [Lipopolysaccharides results in increased secretion of CCL2 protein]]; Roflumilast inhibits the reaction [Lipopolysaccharides results in increased secretion of CCL2 protein] CTD PMID:21913898 NCBI chr10:69,412,065...69,413,863
Ensembl chr10:69,412,017...69,413,870
JBrowse link
G Ccl3 C-C motif chemokine ligand 3 multiple interactions ISO Dinoprostone inhibits the reaction [Indomethacin inhibits the reaction [Roflumilast inhibits the reaction [Lipopolysaccharides results in increased secretion of CCL3 protein]]]; Dinoprostone promotes the reaction [Roflumilast inhibits the reaction [Lipopolysaccharides results in increased secretion of CCL3 protein]]; Indomethacin inhibits the reaction [Roflumilast inhibits the reaction [Lipopolysaccharides results in increased secretion of CCL3 protein]]; Roflumilast inhibits the reaction [Lipopolysaccharides results in increased secretion of CCL3 protein] CTD PMID:21913898 NCBI chr10:70,869,516...70,871,066
Ensembl chr10:70,869,513...70,871,066
JBrowse link
G Ccl4 C-C motif chemokine ligand 4 multiple interactions ISO Dinoprostone inhibits the reaction [Indomethacin inhibits the reaction [Roflumilast inhibits the reaction [Lipopolysaccharides results in increased secretion of CCL4 protein]]]; Dinoprostone promotes the reaction [Roflumilast inhibits the reaction [Lipopolysaccharides results in increased secretion of CCL4 protein]]; Indomethacin inhibits the reaction [Roflumilast inhibits the reaction [Lipopolysaccharides results in increased secretion of CCL4 protein]]; Roflumilast inhibits the reaction [Lipopolysaccharides results in increased secretion of CCL4 protein] CTD PMID:21913898 NCBI chr10:70,870,926...70,886,357
Ensembl chr10:70,884,531...70,886,355
JBrowse link
G Cftr CF transmembrane conductance regulator multiple interactions ISO Roflumilast inhibits the reaction [[Vehicle Emissions results in increased abundance of Particulate Matter] which results in decreased expression of CFTR mRNA]; Roflumilast inhibits the reaction [[Vehicle Emissions results in increased abundance of Particulate Matter] which results in decreased expression of CFTR protein] CTD PMID:31301536 NCBI chr 4:42,693,263...42,860,679
Ensembl chr 4:42,692,836...42,860,676
JBrowse link
G Creb1 cAMP responsive element binding protein 1 multiple interactions
increases phosphorylation
EXP N-(2-(4-bromocinnamylamino)ethyl)-5-isoquinolinesulfonamide inhibits the reaction [Roflumilast promotes the reaction [Nitroprusside results in increased phosphorylation of CREB1 protein]]; Roflumilast promotes the reaction [Nitroprusside results in increased phosphorylation of CREB1 protein]
Roflumilast results in increased phosphorylation of CREB1 protein
CTD PMID:18276108 NCBI chr 9:71,229,753...71,298,994
Ensembl chr 9:71,230,108...71,293,435
JBrowse link
G Cxcl10 C-X-C motif chemokine ligand 10 multiple interactions ISO Dinoprostone inhibits the reaction [Indomethacin inhibits the reaction [Roflumilast inhibits the reaction [Lipopolysaccharides results in increased secretion of CXCL10 protein]]]; Dinoprostone promotes the reaction [Roflumilast inhibits the reaction [Lipopolysaccharides results in increased secretion of CXCL10 protein]]; Indomethacin inhibits the reaction [Roflumilast inhibits the reaction [Lipopolysaccharides results in increased secretion of CXCL10 protein]]; Roflumilast inhibits the reaction [Lipopolysaccharides results in increased secretion of CXCL10 protein] CTD PMID:21913898 NCBI chr14:17,210,733...17,212,930
Ensembl chr14:17,210,733...17,212,930
JBrowse link
G Pde3a phosphodiesterase 3A decreases activity ISO Roflumilast results in decreased activity of PDE3A protein CTD PMID:15901792 NCBI chr 4:175,431,904...175,703,844
Ensembl chr 4:175,431,904...175,700,238
JBrowse link
G Pde3b phosphodiesterase 3B decreases activity ISO Roflumilast results in decreased activity of PDE3B protein CTD PMID:15901792 NCBI chr 1:183,892,841...184,078,071
Ensembl chr 1:183,892,841...184,078,071
JBrowse link
G Pde4a phosphodiesterase 4A decreases activity ISO Roflumilast results in decreased activity of PDE4A protein CTD PMID:15901792 NCBI chr 8:22,189,533...22,234,036
Ensembl chr 8:22,189,600...22,233,748
JBrowse link
G Pde4b phosphodiesterase 4B decreases activity ISO Roflumilast results in decreased activity of PDE4B protein CTD PMID:15901792 NCBI chr 5:121,759,236...122,136,814
Ensembl chr 5:121,952,977...122,136,814
JBrowse link
G Pde4c phosphodiesterase 4C decreases activity ISO Roflumilast results in decreased activity of PDE4C protein CTD PMID:15901792 NCBI chr16:20,442,305...20,466,386
Ensembl chr16:20,442,609...20,460,959
Ensembl chr16:20,442,609...20,460,959
JBrowse link
G Pde4d phosphodiesterase 4D decreases activity ISO Roflumilast results in decreased activity of PDE4D protein CTD PMID:15901792 NCBI chr 2:40,219,999...41,468,551
Ensembl chr 2:40,554,146...41,464,264
JBrowse link
G Pde7a phosphodiesterase 7A decreases activity ISO Roflumilast results in decreased activity of PDE7A protein CTD PMID:15901792 NCBI chr 2:104,042,124...104,134,101
Ensembl chr 2:104,045,811...104,134,101
JBrowse link
G Pde8b phosphodiesterase 8B decreases activity ISO Roflumilast results in decreased activity of PDE8B protein CTD PMID:15901792 NCBI chr 2:24,718,548...24,955,533
Ensembl chr 2:24,719,976...24,923,128
JBrowse link
G Rapgef3 Rap guanine nucleotide exchange factor 3 multiple interactions
increases expression
EXP RAPGEF3 mutant form inhibits the reaction [Roflumilast results in increased phosphorylation of AKT1 protein]
Roflumilast results in increased expression of RAPGEF3 protein
CTD PMID:18276108 NCBI chr 7:139,232,263...139,254,668
Ensembl chr 7:139,232,251...139,254,551
JBrowse link
G Tnf tumor necrosis factor multiple interactions ISO Dinoprostone inhibits the reaction [Indomethacin inhibits the reaction [Roflumilast inhibits the reaction [Lipopolysaccharides results in increased secretion of TNF protein]]]; Dinoprostone promotes the reaction [Roflumilast inhibits the reaction [Lipopolysaccharides results in increased secretion of TNF protein]]; Indomethacin inhibits the reaction [Roflumilast inhibits the reaction [Lipopolysaccharides results in increased secretion of TNF protein]]; Roflumilast inhibits the reaction [Lipopolysaccharides results in increased secretion of TNF protein] CTD PMID:21913898 NCBI chr20:5,189,382...5,192,000
Ensembl chr20:5,189,390...5,192,000
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19841
    role 19792
      application 19465
        anti-asthmatic agent 9187
          anti-asthmatic drug 8557
            roflumilast 19
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 19732
                    p-block element atom 19732
                      carbon group element atom 19636
                        carbon atom 19625
                          organic molecular entity 19625
                            organic group 18537
                              organic divalent group 18528
                                organodiyl group 18528
                                  carbonyl group 18436
                                    carbonyl compound 18436
                                      carboxylic acid 18113
                                        carboacyl group 17377
                                          univalent carboacyl group 17377
                                            carbamoyl group 17164
                                              carboxamide 17164
                                                monocarboxylic acid amide 14583
                                                  arenecarboxamide 6520
                                                    benzamides 6520
                                                      roflumilast 19
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