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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 chr20:3,047,269...3,069,277
Ensembl chr20:3,050,375...3,069,276 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20862
    role 20820
      application 20621
        refrigerant 18723
          tetrafluoromethane 6826
            trifluoromethyl group 6826
              (trifluoromethyl)benzenes 6826
                DDR1-IN-1 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 20862
    subatomic particle 20860
      composite particle 20860
        hadron 20860
          baryon 20860
            nucleon 20860
              atomic nucleus 20860
                atom 20860
                  main group element atom 20781
                    p-block element atom 20781
                      carbon group element atom 20715
                        carbon atom 20710
                          organic molecular entity 20710
                            heteroorganic entity 20219
                              organochalcogen compound 19904
                                organooxygen compound 19806
                                  carbon oxoacid 19155
                                    carboxylic acid 19152
                                      carboacyl group 18085
                                        univalent carboacyl group 18085
                                          carbamoyl group 17921
                                            carboxamide 17921
                                              monocarboxylic acid amide 15953
                                                arenecarboxamide 8285
                                                  benzamides 8285
                                                    DDR1-IN-1 1
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