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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:141530 - delanzomib
Main
ChEBI Ontology
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ChEBI Name
delanzomib
ChEBI ID
CHEBI:141530
Definition
A C-terminal boronic acid peptide inhibitor which induces apoptosis in multiple myeloma, hematological and solid tumor cell lines.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Mark Williams
Supplier Information
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Molfile
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SDF
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Formula
C21H28BN3O5
Net Charge
0
Average Mass
413.276
Monoisotopic Mass
413.21220
InChI
InChI=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
InChIKey
SJFBTAPEPRWNKH-CCKFTAQKSA-N
SMILES
O=C(N[C@H](C(=O)N[C@@H](CC(C)C)B(O)O)[C@H](O)C)C1=NC(C2=CC=CC=C2)=CC=C1
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application
(s):
proteasome inhibitor
A drug that blocks the action of proteasomes, cellular complexes that break down proteins.
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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
[(1
R
)-
3-
methyl-
1-
({
N
-
[(6-
phenylpyridin-
2-
yl)carbonyl]-
L
-
threonyl}amino)butyl]boronic acid
INNs
Sources
délanzomib
WHO MedNet
delanzomib
WHO MedNet
delanzomibum
WHO MedNet
Synonyms
Sources
[(1
R
)-
1-
[[(2
S
,3
R
)-
3-
hydroxy-
1-
oxo-
2-
[[oxo-
(6-
phenyl-
2-
pyridyl)methyl]amino]butyl]amino]-
3-
methylbutyl]boronic acid
ChEBI
[(1
R
)-
1-
[[(2
S
,3
R
)-
3-
hydroxy-
2-
[(6-
phenylpyridin-
2-
yl)carbonylamino]butanoyl]amino]-
3-
methyl-
butyl]boronic acid
ChEBI
boronic acid, ((1
R
)-
1-
(((2
S
,3
R
)-
3-
hydroxy-
1-
oxo-
2-
(((6-
phenyl-
2-
pyridinyl)carbonyl)amino)butyl)amino)-
3-
methylbutyl)-
ChemIDplus
CEP-18770
ChEBI
CT-47098
ChEBI
Manual Xrefs
Databases
D10110
KEGG DRUG
DB11956
DrugBank
WO2011087822
Patent
View more database links
Registry Numbers
Types
Sources
12211043
Reaxys Registry Number
Reaxys
847499-27-8
CAS Registry Number
ChemIDplus
847499-27-8
CAS Registry Number
DrugBank
Citations
Types
Sources
18057228
PubMed citation
Europe PMC
19958357
PubMed citation
Europe PMC
20872901
PubMed citation
Europe PMC
22178195
PubMed citation
Europe PMC
22906694
PubMed citation
Europe PMC
23058787
PubMed citation
Europe PMC
28140719
PubMed citation
Europe PMC
29371974
PubMed citation
Europe PMC
29848702
PubMed citation
Europe PMC
Last Modified
23 August 2018