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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 6:131,713,716...131,735,319
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 4:178,185,418...178,218,484 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 chr11:83,957,813...84,023,629
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 1:181,366,646...181,372,863
Ensembl chr 1:181,366,637...181,372,863
JBrowse link

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Term Annotations click to browse term
  CHEBI ontology 19911
    role 19887
      biological role 19885
        inhibitor 18944
          ARS-1620 4
Path 2
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  CHEBI ontology 19911
    subatomic particle 19909
      composite particle 19909
        hadron 19909
          baryon 19909
            nucleon 19909
              atomic nucleus 19909
                atom 19909
                  main group element atom 19859
                    p-block element atom 19859
                      carbon group element atom 19803
                        carbon atom 19799
                          organic molecular entity 19799
                            organic molecule 19753
                              organic cyclic compound 19558
                                organic heterocyclic compound 18901
                                  organic heteropolycyclic compound 18324
                                    organic heterobicyclic compound 17260
                                      quinazolines 536
                                        ARS-1620 4
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