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CHEBI:747810 - Tubastatin A hydrochloride

Default Structure
ChEBI IDCHEBI:747810
ChEBI NameTubastatin A hydrochloride
Stars
DefinitionA potent and selective HDAC6 inhibitor with IC50 of 15 nM in a cell-free assay.
Last Modified28 May 2026
Submitterjychien
DownloadsMolfile
FormulaHCl.C20H21N3O2
Net Charge0
Average Mass371.868
Monoisotopic Mass371.14005
SMILES[H]Cl.[H]ON([H])C(=O)c1c([H])c([H])c(C([H])([H])n2c3c(c4c([H])c([H])c([H])c([H])c42)C([H])([H])N(C([H])([H])[H])C([H])([H])C3([H])[H])c([H])c1[H]
InChIInChI=1S/C20H21N3O2.ClH/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25;/h2-9,25H,10-13H2,1H3,(H,21,24);1H
InChIKeyLJTSJTWIMOGKRJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Tubastatin A hydrochloride (CHEBI:747810) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
N-hydroxy-4-[(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide;hydrochloride
Synonyms  Source
Tubastatin A HClPubChem Compound
Tubastatin A (Hydrochloride)PubChem Compound
Registry NumbersSources
CAS:1310693-92-5CAS