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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:ARS-1620
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Accession:CHEBI:193597 term browser browse the term
Definition:A qinazoline derivative carrying chloro and fluoro substituents at positions 6 and 8 respectively, a 2-fluoro-6-hydroxyphenyl group at position 7, and a 4-(prop-2-enoyl)piperazin-1-yl group at position 4. A potent, selective, and orally bioavailable covalent KRAS-G12C inhibitor, it inhibits the protein coding gene KRAS (Kirsten rat sarcoma virus) with high potency in cells and animals.
Synonyms:exact_synonym: 1-{4-[(7Sa)-6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl}prop-2-en-1-one
 related_synonym: (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one;   1-[4-[(7S)-6-chloro-8-fluoro-7-[(1S)-2-fluoro-6-hydroxyphenyl]-4-quinazolinyl]-1-piperazinyl]-2-propen-1-one;   Formula=C21H17ClF2N4O2;   InChI=1S/C21H17ClF2N4O2/c1-2-16(30)27-6-8-28(9-7-27)21-12-10-13(22)17(19(24)20(12)25-11-26-21)18-14(23)4-3-5-15(18)29/h2-5,10-11,29H,1,6-9H2;   InChIKey=ZRPZPNYZFSJUPA-UHFFFAOYSA-N;   SMILES=OC1=CC=CC(F)=C1C1=C(F)C2=NC=NC(N3CCN(CC3)C(=O)C=C)=C2C=C1Cl
 xref_mesh: MESH:C000629713
 xref: PDBeChem:91S;   PMID:35158284;   PMID:35281897;   PMID:36099883


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ARS-1620 term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Akt1 AKT serine/threonine kinase 1 decreases phosphorylation ISO ARS-1620 results in decreased phosphorylation of AKT1 protein CTD PMID:31332011 NCBI chr 6:137,534,810...137,555,131
Ensembl chr 6:131,713,720...131,733,921 		JBrowse link
G Kras KRAS proto-oncogene, GTPase affects binding ISO ARS-1620 binds to KRAS protein mutant form CTD PMID:31666701 NCBI chr 4:179,916,255...179,949,613 JBrowse link
G Mapk1 mitogen activated protein kinase 1 decreases phosphorylation ISO ARS-1620 results in decreased phosphorylation of MAPK1 protein CTD PMID:31332011 NCBI chr11:97,462,025...97,529,193
Ensembl chr11:83,957,813...84,023,616 		JBrowse link
G Mapk3 mitogen activated protein kinase 3 decreases phosphorylation ISO ARS-1620 results in decreased phosphorylation of MAPK3 protein CTD PMID:31332011 NCBI chr 1:190,797,189...190,803,411
Ensembl chr 1:181,366,637...181,372,863 		JBrowse link
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Path 1
Term Annotations click to browse term
  CHEBI ontology 19909
    role 19880
      biological role 19878
        inhibitor 18967
          ARS-1620 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 19909
    subatomic particle 19907
      composite particle 19907
        hadron 19907
          baryon 19907
            nucleon 19907
              atomic nucleus 19907
                atom 19907
                  main group element atom 19846
                    p-block element atom 19846
                      carbon group element atom 19784
                        carbon atom 19781
                          organic molecular entity 19781
                            organic molecule 19735
                              organic cyclic compound 19528
                                organic heterocyclic compound 18895
                                  organic heteropolycyclic compound 18318
                                    organic heterobicyclic compound 17258
                                      quinazolines 570
                                        ARS-1620 4
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