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CHEBI:50138 - lonidamine

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.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
geroprotector  Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.
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
lonidaminumChemIDplus
lonidamineChemIDplus
Synonyms  Source
diclondazolic acidChemIDplus
1-(2,4-dichlorbenzyl)-indazole-3-carboxylic acidChemIDplus
DICAChemIDplus
LonidaminChEBI
Brand Name  Source
DoridaminaChemIDplus
Manual XrefsDatabases
DE2310031Patent
US3895026Patent
LSM-6272LINCS
1598DrugCentral
LonidamineWikipedia
D07257KEGG DRUG
DB06266DrugBank
HMDB0254158HMDB
Registry NumbersSources
Beilstein:894483Beilstein
CAS:50264-69-2ChemIDplus
CAS:50264-69-2NIST Chemistry WebBook
Citations