CHEBI:193597 - ARS-1620

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name ARS-1620 ChEBI ID CHEBI:193597 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C21H17ClF2N4O2 Net Charge 0 Average Mass 430.840 Monoisotopic Mass 430.10081 InChI 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 Roles Classification Biological Role(s): inhibitor A substance that diminishes the rate of a chemical reaction. antiviral agent A substance that destroys or inhibits replication of viruses. Application(s): antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. View more via ChEBI Ontology ChEBI Ontology Outgoing ARS-1620 (CHEBI:193597) has role antineoplastic agent (CHEBI:35610) ARS-1620 (CHEBI:193597) has role antiviral agent (CHEBI:22587) ARS-1620 (CHEBI:193597) has role inhibitor (CHEBI:35222) ARS-1620 (CHEBI:193597) is a quinazolines (CHEBI:38530) IUPAC Name 1-{4-[(7Sa)-6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl}prop-2-en-1-one Synonyms Sources (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one PDBeChem 1-[4-[(7S)-6-chloro-8-fluoro-7-[(1S)-2-fluoro-6-hydroxyphenyl]-4-quinazolinyl]-1-piperazinyl]-2-propen-1-one ChEBI ARS 1620 ChEBI Manual Xref Database 91S PDBeChem View more database links Citations Types Sources 35158284 PubMed citation Europe PMC 35281897 PubMed citation Europe PMC 36099883 PubMed citation Europe PMC Last Modified 18 October 2022