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CHEBI:141530 - delanzomib

ChEBI IDCHEBI:141530
ChEBI Namedelanzomib
Stars
DefinitionA C-terminal boronic acid peptide inhibitor which induces apoptosis in multiple myeloma, hematological and solid tumor cell lines.
Last Modified23 August 2018
Submittermwilliams
DownloadsMolfile
FormulaC21H28BN3O5
Net Charge0
Average Mass413.283
Monoisotopic Mass413.21220
SMILESCC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(-c2ccccc2)n1)[C@@H](C)O)B(O)O
InChIInChI=1S/C21H28BN3O5/c1-13(2)12-18(22(29)30)24-21(28)19(14(3)26)25-20(27)17-11-7-10-16(23-17)15-8-5-4-6-9-15/h4-11,13-14,18-19,26,29-30H,12H2,1-3H3,(H,24,28)(H,25,27)/t14-,18+,19+/m1/s1
InChIKeySJFBTAPEPRWNKH-CCKFTAQKSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
proteasome inhibitor  A drug that blocks the action of proteasomes, cellular complexes that break down proteins.
ChEBI Ontology
Outgoing Relation(s)
delanzomib (CHEBI:141530) has functional parent L-threonine (CHEBI:16857)
delanzomib (CHEBI:141530) has role antineoplastic agent (CHEBI:35610)
delanzomib (CHEBI:141530) has role apoptosis inducer (CHEBI:68495)
delanzomib (CHEBI:141530) has role proteasome inhibitor (CHEBI:52726)
delanzomib (CHEBI:141530) is a C-terminal boronic acid peptide (CHEBI:140517)
delanzomib (CHEBI:141530) is a phenylpyridine (CHEBI:38193)
delanzomib (CHEBI:141530) is a secondary alcohol (CHEBI:35681)
delanzomib (CHEBI:141530) is a threonine derivative (CHEBI:26987)
IUPAC Name 
[(1R)-3-methyl-1-({N-[(6-phenylpyridin-2-yl)carbonyl]-L-threonyl}amino)butyl]boronic acid
INNs  Source
delanzomibumWHO MedNet
delanzomibWHO MedNet
délanzomibWHO MedNet
Synonyms  Source
CEP-18770ChEBI
[(1R)-1-[[(2S,3R)-3-hydroxy-1-oxo-2-[[oxo-(6-phenyl-2-pyridyl)methyl]amino]butyl]amino]-3-methylbutyl]boronic acidChEBI
[(1R)-1-[[(2S,3R)-3-hydroxy-2-[(6-phenylpyridin-2-yl)carbonylamino]butanoyl]amino]-3-methyl-butyl]boronic acidChEBI
boronic acid, ((1R)-1-(((2S,3R)-3-hydroxy-1-oxo-2-(((6-phenyl-2-pyridinyl)carbonyl)amino)butyl)amino)-3-methylbutyl)-ChemIDplus
CT-47098ChEBI
Manual XrefsDatabases
D10110KEGG DRUG
DB11956DrugBank
WO2011087822Patent
Registry NumbersSources
Reaxys:12211043Reaxys
CAS:847499-27-8ChemIDplus
CAS:847499-27-8DrugBank
Citations