CHEBI:189653 - pelabresib

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ChEBI Name pelabresib ChEBI ID CHEBI:189653 Definition An organic heterotricyclic compound that is 4H-[1,2]oxazolo[5,4-d][2]benzazepine substituted by methyl, 2-amino-2-oxoethyl, and 4-chlorophenyl groups at positions 1, 4S and 6, respectively. It is a small molecule inhibitor of bromodomain and extra-terminal (BET) proteins and exhibits antineoplastic activity. Stars This entity has been manually annotated by the ChEBI Team. Submitter Jinyang Du Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C20H16ClN3O2 Net Charge 0 Average Mass 365.820 Monoisotopic Mass 365.09310 InChI InChI=1S/C20H16ClN3O2/c1-11-18-14-4-2-3-5-15(14)19(12-6-8-13(21)9-7-12)23-16(10-17(22)25)20(18)26-24-11/h2-9,16H,10H2,1H3,(H2,22,25)/t16-/m0/s1 InChIKey GCWIQUVXWZWCLE-INIZCTEOSA-N SMILES CC1=NOC2=C1C1=C(C=CC=C1)C(=NC2CC(N)=O)C1=CC=C(Cl)C=C1 Roles Classification Biological Role(s): bromodomain-containing protein 4 inhibitor Any inhibitor of bromodomain-containing protein 4 (BRD4). Application(s): antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. View more via ChEBI Ontology ChEBI Ontology Outgoing pelabresib (CHEBI:189653) has role antineoplastic agent (CHEBI:35610) pelabresib (CHEBI:189653) has role bromodomain-containing protein 4 inhibitor (CHEBI:137114) pelabresib (CHEBI:189653) is a monochlorobenzenes (CHEBI:83403) pelabresib (CHEBI:189653) is a organic heterotricyclic compound (CHEBI:26979) pelabresib (CHEBI:189653) is a primary carboxamide (CHEBI:140324) IUPAC Name 2-[(4S)-6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide INNs Sources pelabresib WHO MedNet pélabrésib WHO MedNet pelabresib WHO MedNet pelabresibum WHO MedNet Synonyms Sources 2-((4S)-6-(4-chlorophenyl)-1-methyl-4H-isoxazolo[5,4-d][2]benzazepin-4-yl)acetamide ChemIDplus CPI 0610 ChEBI CPI-0610 ChEBI CPI-0610 anhydrous ChEBI CPI-232 ChemIDplus CPI0610 ChEBI Manual Xrefs Databases 32738784 ChemSpider CPI-0610 Wikipedia View more database links Registry Number Type Source 1380087-89-7 CAS Registry Number ChemIDplus Citations Types Sources 26815195 PubMed citation Europe PMC 27890933 PubMed citation Europe PMC 30529073 PubMed citation Europe PMC 31729905 PubMed citation Europe PMC 32245330 PubMed citation Europe PMC 32927276 PubMed citation Europe PMC 33509905 PubMed citation Europe PMC 33574760 PubMed citation Europe PMC 33925695 PubMed citation Europe PMC 35114569 PubMed citation Europe PMC Last Modified 17 February 2022