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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
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Term Annotations click to browse term
  CHEBI ontology 19880
    role 19850
      application 19695
        refrigerant 18282
          tetrafluoromethane 6773
            trifluoromethyl group 6773
              (trifluoromethyl)benzenes 6773
                DDR1-IN-1 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19880
    subatomic particle 19878
      composite particle 19878
        hadron 19878
          baryon 19878
            nucleon 19878
              atomic nucleus 19878
                atom 19878
                  main group element atom 19817
                    p-block element atom 19817
                      carbon group element atom 19757
                        carbon atom 19754
                          organic molecular entity 19754
                            heteroorganic entity 19512
                              organochalcogen compound 19275
                                organooxygen compound 19191
                                  carbon oxoacid 18658
                                    carboxylic acid 18655
                                      carboacyl group 17699
                                        univalent carboacyl group 17699
                                          carbamoyl group 17550
                                            carboxamide 17550
                                              monocarboxylic acid amide 15732
                                                arenecarboxamide 8256
                                                  benzamides 8256
                                                    DDR1-IN-1 1
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