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CHEBI:234073 - Fenebrutinib

Default Structure
ChEBI IDCHEBI:234073
ChEBI NameFenebrutinib
Stars
DefinitionFenebrutinib is an orally available inhibitor of Bruton's tyrosine kinase (BTK) with potential antineoplastic activity. Upon administration, fenebrutinib inhibits the activity of BTK and prevents the activation of the B-cell antigen receptor (BCR) signaling pathway.
Submitterlbonaobra
DownloadsMolfile
FormulaC37H44N8O4
Net Charge0
Average Mass664.811
Monoisotopic Mass664.34855
SMILES[H][C@]1(C)CN(C2COC2)CCN1c1ccc(Nc2cc(-c3ccnc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1
InChIInChI=1S/C37H44N8O4/c1-23-18-42(27-21-49-22-27)9-10-43(23)26-5-6-33(39-17-26)40-30-13-25(19-41(4)35(30)47)28-7-8-38-34(29(28)20-46)45-12-11-44-31(36(45)48)14-24-15-37(2,3)16-32(24)44/h5-8,13-14,17,19,23,27,46H,9-12,15-16,18,20-22H2,1-4H3,(H,39,40)/t23-/m0/s1
InChIKeyWNEODWDFDXWOLU-QHCPKHFHSA-N
ChEBI Ontology
Outgoing Relation(s)
Fenebrutinib (CHEBI:234073) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
10-[3-(hydroxymethyl)-4-[1-methyl-5-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl]amino]-6-oxopyridin-3-yl]pyridin-2-yl]-4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-oneSUBMITTER
1434048-34-6SUBMITTER
GDC-0853SUBMITTER
Registry NumbersSources
CAS:1434048-34-6SUBMITTER