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CHEBI:189653 - pelabresib

ChEBI IDCHEBI:189653
ChEBI Namepelabresib
Stars
DefinitionAn 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.
Last Modified17 February 2022
Submitterjinyangd
DownloadsMolfile
FormulaC20H16ClN3O2
Net Charge0
Average Mass365.820
Monoisotopic Mass365.09310
SMILESCc1noc2c1-c1ccccc1C(c1ccc(Cl)cc1)=N[C@H]2CC(N)=O
InChIInChI=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
InChIKeyGCWIQUVXWZWCLE-INIZCTEOSA-N
Wikipedia
Roles Classification
Biological Role:
bromodomain-containing protein 4 inhibitor  Any inhibitor of bromodomain-containing protein 4 (BRD4).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
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  Source
pelabresibWHO MedNet
pelabresibWHO MedNet
pélabrésibWHO MedNet
pelabresibumWHO MedNet
Synonyms  Source
CPI-0610 anhydrousChEBI
CPI-0610ChEBI
CPI 0610ChEBI
CPI0610ChEBI
CPI-232ChemIDplus
2-((4S)-6-(4-chlorophenyl)-1-methyl-4H-isoxazolo[5,4-d][2]benzazepin-4-yl)acetamideChemIDplus
Manual XrefsDatabases
CPI-0610Wikipedia
32738784ChemSpider
Registry NumbersSources
CAS:1380087-89-7ChemIDplus
Citations