CHEBI:79377 - elesclomol-Cu(II)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name elesclomol-Cu(II)
ChEBI ID CHEBI:79377
ChEBI ASCII Name elesclomol-Cu(II)
Definition The copper coordination entity formed from elesclomol by coordination to copper via the thiocarbonyl and hydrazino groups.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C19H18CuN4O2S2
Net Charge 0
Average Mass 462.04800
Monoisotopic Mass 461.01672
InChI InChI=1S/C19H20N4O2S2.Cu/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,(H2,20,21,24,25);/q;+2/p-2
InChIKey UUSCWIGUMPDFDE-UHFFFAOYSA-L
SMILES CN1N2C(=O)CC(=O)N3N(C)C(=[S+][Cu--]23[S+]=C1c1ccccc1)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-Cu(II) (CHEBI:79377) has part elesclomol (CHEBI:79369)
elesclomol-Cu(II) (CHEBI:79377) has role antineoplastic agent (CHEBI:35610)
elesclomol-Cu(II) (CHEBI:79377) has role apoptosis inducer (CHEBI:68495)
elesclomol-Cu(II) (CHEBI:79377) is a copper coordination entity (CHEBI:37403)
IUPAC Name
{N'1,N'3-dimethyl-N'1,N'3-bis[phenyl(thioxo-κS)methyl]malonohydrazido(2−)-κ2N1,N3}copper
Synonyms Sources
elesclomol-copper ChEBI
elesclomol-Cu ChEBI
elesclomol-Cu(2+) ChEBI
Manual Xref Database
WO2013071106 Patent
View more database links
Registry Number Type Source
24095943 Reaxys Registry Number Reaxys
Last Modified
23 July 2014