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ChEBI
> Main
CHEBI:79369 - elesclomol
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ChEBI Name
elesclomol
ChEBI ID
CHEBI:79369
Definition
A carbohydrazide obtained by formal condensation of the carboxy groups of malonic acid with the hydrino groups of two molar equivalents of
N
-methylbenzenecarbothiohydrazide
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
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Read full article at Wikipedia
Formula
C19H20N4O2S2
Net Charge
0
Average Mass
400.51800
Monoisotopic Mass
400.10277
InChI
InChI=1S/C19H20N4O2S2/c1-
22(18(26)
14-
9-
5-
3-
6-
10-
14)
20-
16(24)
13-
17(25)
21-
23(2)
19(27)
15-
11-
7-
4-
8-
12-
15/h3-
12H,13H2,1-
2H3,(H,20,24)
(H,21,25)
InChIKey
BKJIXTWSNXCKJH-UHFFFAOYSA-N
SMILES
CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1
Roles Classification
Biological Role
(s):
apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
elesclomol (
CHEBI:79369
)
has functional parent
malonic acid (
CHEBI:30794
)
elesclomol (
CHEBI:79369
)
has role
antineoplastic agent (
CHEBI:35610
)
elesclomol (
CHEBI:79369
)
has role
apoptosis inducer (
CHEBI:68495
)
elesclomol (
CHEBI:79369
)
is a
carbohydrazide (
CHEBI:35363
)
elesclomol (
CHEBI:79369
)
is a
thiocarbonyl compound (
CHEBI:50492
)
Incoming
elesclomol-Cu(
II
) (
CHEBI:79377
)
has part
elesclomol (
CHEBI:79369
)
IUPAC Name
N
'
1
,
N
'
3
-
dimethyl-
N
'
1
,
N
'
3
-
bis(phenylcarbonothioyl)malonohydrazide
INNs
Sources
elesclomol
ChemIDplus
élesclomol
WHO MedNet
elesclomol
WHO MedNet
elesclomolum
WHO MedNet
Synonym
Source
1-N'-Benzenecarbothioyl-3-(2-benzenecarbothioyl-2-methylhydrazinyl)-N'-methyl-oxopropanehydrazidide
ChemIDplus
Manual Xrefs
Databases
D08909
KEGG DRUG
Elesclomol
Wikipedia
LSM-4929
LINCS
WO2011133673
Patent
View more database links
Registry Numbers
Types
Sources
11332608
Reaxys Registry Number
Reaxys
488832-69-5
CAS Registry Number
ChemIDplus
488832-69-5
CAS Registry Number
KEGG DRUG
Citations
Types
Sources
18389103
PubMed citation
Europe PMC
18723479
PubMed citation
Europe PMC
19609669
PubMed citation
Europe PMC
19826135
PubMed citation
Europe PMC
20933353
PubMed citation
Europe PMC
22253786
PubMed citation
Europe PMC
22425348
PubMed citation
Europe PMC
22542443
PubMed citation
Europe PMC
22865452
PubMed citation
Europe PMC
23401447
PubMed citation
Europe PMC
23707906
PubMed citation
Europe PMC
23937981
PubMed citation
Europe PMC
24161908
PubMed citation
Europe PMC
24176921
PubMed citation
Europe PMC
24798374
PubMed citation
Europe PMC
Last Modified
25 February 2016