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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 19890
    role 19839
      application 19703
        refrigerant 18295
          tetrafluoromethane 6771
            trifluoromethyl group 6776
              (trifluoromethyl)benzenes 6771
                DDR1-IN-1 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19890
    subatomic particle 19867
      composite particle 19888
        hadron 19888
          baryon 19888
            nucleon 19867
              atomic nucleus 19888
                atom 19888
                  main group element atom 19806
                    p-block element atom 19806
                      carbon group element atom 19746
                        carbon atom 19743
                          organic molecular entity 19743
                            heteroorganic entity 19502
                              organochalcogen compound 19264
                                organooxygen compound 19180
                                  carbon oxoacid 18666
                                    carboxylic acid 18663
                                      carboacyl group 17715
                                        univalent carboacyl group 17690
                                          carbamoyl group 17566
                                            carboxamide 17566
                                              monocarboxylic acid amide 15721
                                                arenecarboxamide 8254
                                                  benzamides 8254
                                                    DDR1-IN-1 1
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