EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:228800 - KRIBB11

ChEBI IDCHEBI:228800
ChEBI NameKRIBB11
Stars
DefinitionA member of the class of indazoles that is 1H-indazole substituted by a [6-(methylamino)-3-nitropyridin-2-yl]amino group at position 5. It is an inhibitor of heat shock factor 1 (IC50 = 1.2μM) and suppresses tumour growth in mouse xenograft models.
Last Modified10 January 2024
SubmitterAdnan
DownloadsMolfile
FormulaC13H12N6O2
Net Charge0
Average Mass284.279
Monoisotopic Mass284.10217
SMILESCNc1ccc([N+](=O)[O-])c(Nc2ccc3nncc3c2)n1
InChIInChI=1S/C13H12N6O2/c1-14-12-5-4-11(19(20)21)13(17-12)16-9-2-3-10-8(6-9)7-15-18-10/h2-7H,1H3,(H,15,18)(H2,14,16,17)
InChIKeyNDJJEQIMIJJCLL-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
heat shock factor 1 inhibitor  Any inhibitor that interferes with the action of heat shock factor 1.
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
KRIBB11 (CHEBI:228800) has role antineoplastic agent (CHEBI:35610)
KRIBB11 (CHEBI:228800) has role apoptosis inducer (CHEBI:68495)
KRIBB11 (CHEBI:228800) has role heat shock factor 1 inhibitor (CHEBI:228801)
KRIBB11 (CHEBI:228800) is a C-nitro compound (CHEBI:35716)
KRIBB11 (CHEBI:228800) is a aminopyridine (CHEBI:38207)
KRIBB11 (CHEBI:228800) is a aromatic amine (CHEBI:33860)
KRIBB11 (CHEBI:228800) is a indazoles (CHEBI:38769)
IUPAC Name 
N2-(1H-indazol-5-yl)-N6-methyl-3-nitropyridine-2,6-diamine
Synonym  Source
N2-1H-indazol-5-yl-N6-methyl-3-nitro-2,6-pyridinediamineChEBI
Registry NumbersSources
CAS:342639-96-7ChEBI
Citations