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CHEBI:50138 - lonidamine

Default Structure
ChEBI IDCHEBI:50138
ChEBI Namelonidamine
Stars
DefinitionA member of the class of indazoles that is 1H-indazole that is substituted at positions 1 and 3 by 2,4-dichlorobenzyl and carboxy groups, respectively.
Last Modified26 October 2021
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC15H10Cl2N2O2
Net Charge0
Average Mass321.163
Monoisotopic Mass320.01193
SMILESO=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12
InChIInChI=1S/C15H10Cl2N2O2/c16-10-6-5-9(12(17)7-10)8-19-13-4-2-1-3-11(13)14(18-19)15(20)21/h1-7H,8H2,(H,20,21)
InChIKeyWDRYRZXSPDWGEB-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
EC 2.7.1.1 (hexokinase) inhibitor  An EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor that interferes with the action of hexokinase, EC 2.7.1.1, an enzyme that phosphorylates hexoses forming hexose phosphate.
Applications:
antispermatogenic agent  An agent that destroy spermatozoa in the male genitalia and block spermatogenesis.
geroprotector  Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
lonidamine (CHEBI:50138) has role antineoplastic agent (CHEBI:35610)
lonidamine (CHEBI:50138) has role antispermatogenic agent (CHEBI:145047)
lonidamine (CHEBI:50138) has role EC 2.7.1.1 (hexokinase) inhibitor (CHEBI:78366)
lonidamine (CHEBI:50138) has role geroprotector (CHEBI:176497)
lonidamine (CHEBI:50138) is a dichlorobenzene (CHEBI:23697)
lonidamine (CHEBI:50138) is a indazoles (CHEBI:38769)
lonidamine (CHEBI:50138) is a monocarboxylic acid (CHEBI:25384)
Incoming Relation(s)
gamendazole (CHEBI:90703) has functional parent lonidamine (CHEBI:50138)
IUPAC Name 
1-(2,4-dichlorobenzyl)-1H-indazole-3-carboxylic acid
INNs  Source
lonidaminaChemIDplus
lonidamineChemIDplus
lonidaminumChemIDplus
Synonyms  Source
1-(2,4-dichlorbenzyl)-indazole-3-carboxylic acidChemIDplus
DICAChemIDplus
diclondazolic acidChemIDplus
LonidaminChEBI
Brand Name  Source
DoridaminaChemIDplus
Manual XrefsDatabases
1598DrugCentral
D07257KEGG DRUG
DB06266DrugBank
DE2310031Patent
HMDB0254158HMDB
LonidamineWikipedia
LSM-6272LINCS
US3895026Patent
Registry NumbersSources
Beilstein:894483Beilstein
CAS:50264-69-2ChemIDplus
CAS:50264-69-2NIST Chemistry WebBook
Citations