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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:DDR1-IN-1
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Accession:CHEBI:189867 term browser browse the term
Definition:A secondary carboxamide resulting from the formal condensation of the carboxy group of 4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoic acid with the amino group of 5-(5-amino-2-methylphenoxy)-1,3-dihydro-2H-indol-2-one. It is a potent inhibitor of discoidin domain receptor tyrosine kinase 1 and 2 (DDR1/2) with IC50 = 105 nM and 413 nM, respectively.
Synonyms:exact_synonym: 4-[(4-ethylpiperazin-1-yl)methyl]-N-{4-methyl-3-[(2-oxo-2,3-dihydro-1H-indol-5-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide
 related_synonym: 4-((4-ethylpiperazin-1-yl)methyl)-N-(4-methyl-3-(2-oxoindolin-5-yloxy)phenyl)-3-(trifluoromethyl)benzamide;   Formula=C30H31F3N4O3;   InChI=1S/C30H31F3N4O3/c1-3-36-10-12-37(13-11-36)18-21-6-5-20(15-25(21)30(31,32)33)29(39)34-23-7-4-19(2)27(17-23)40-24-8-9-26-22(14-24)16-28(38)35-26/h4-9,14-15,17H,3,10-13,16,18H2,1-2H3,(H,34,39)(H,35,38);   InChIKey=AOZPVMOOEJAZGK-UHFFFAOYSA-N;   N-[3-[(2,3-dihydro-2-oxo-1H-indol-5-yl)oxy]-4-methylphenyl]-4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)benzamide;   SMILES=CCN1CCN(CC2=C(C=C(C=C2)C(=O)NC2=CC=C(C)C(OC3=CC4=C(NC(=O)C4)C=C3)=C2)C(F)(F)F)CC1
 xref: CAS:1449685-96-4;   Chemspider:32490190;   PDBeChem:DI1;   PMID:23899692;   PMID:24768818;   PMID:25569119;   PMID:29170554;   PMID:30783426;   PMID:31271515;   PMID:33110221


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DDR1-IN-1 term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Ddr1 discoidin domain receptor tyrosine kinase 1 multiple interactions
decreases phosphorylation		 ISO DDR1-IN-1 inhibits the reaction [collagen increases DDR1 autophosphorylation in human cell lines]
DDR1-IN-1 inhibits the reaction [collagen increases phosphorylation of DDR1 in human melanoma cells]
DDR1-IN-1 decreases DDR1 phosphorylation in human cancer cells in mouse model		 RGD PMID:23899692 PMID:31271515 PMID:26719540 RGD:152995467, RGD:151347864, RGD:11520844 NCBI chr20:3,042,494...3,064,442
Ensembl chr20:3,044,320...3,064,468 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19715
    role 19690
      application 19522
        refrigerant 17983
          tetrafluoromethane 6700
            trifluoromethyl group 6700
              (trifluoromethyl)benzenes 6700
                DDR1-IN-1 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19715
    subatomic particle 19713
      composite particle 19713
        hadron 19713
          baryon 19713
            nucleon 19713
              atomic nucleus 19713
                atom 19713
                  main group element atom 19662
                    p-block element atom 19662
                      carbon group element atom 19606
                        carbon atom 19603
                          organic molecular entity 19603
                            organic group 18792
                              organic divalent group 18777
                                organodiyl group 18777
                                  carbonyl group 18743
                                    carbonyl compound 18743
                                      carboxylic acid 18443
                                        carboacyl group 17599
                                          univalent carboacyl group 17599
                                            carbamoyl group 17435
                                              carboxamide 17435
                                                monocarboxylic acid amide 15545
                                                  arenecarboxamide 7311
                                                    benzamides 7311
                                                      DDR1-IN-1 1
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