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CHEBI:747809 - Tak-901

Default Structure
ChEBI IDCHEBI:747809
ChEBI NameTak-901
Stars
DefinitionA small-molecule that binds to and inhibits serine-threonine kinase Aurora B, which may result in antineoplastic activity and decrease in the proliferation of tumor cells that overexpress Aurora B.
Last Modified28 May 2026
Submitterjychien
DownloadsMolfile
FormulaC28H32N4O3S
Net Charge0
Average Mass504.656
Monoisotopic Mass504.21951
SMILES[H]c1nc2c(c([H])c1C([H])([H])[H])c1c(-c3c([H])c([H])c([H])c(S(=O)(=O)C([H])([H])C([H])([H])[H])c3[H])c([H])c(C(=O)N([H])C3([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C3([H])[H])c(C([H])([H])[H])c1n2[H]
InChIInChI=1S/C28H32N4O3S/c1-5-36(34,35)21-8-6-7-19(14-21)23-15-22(28(33)30-20-9-11-32(4)12-10-20)18(3)26-25(23)24-13-17(2)16-29-27(24)31-26/h6-8,13-16,20H,5,9-12H2,1-4H3,(H,29,31)(H,30,33)
InChIKeyWKDACQVEJIVHMZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Tak-901 (CHEBI:747809) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-(1-methylpiperidin-4-yl)-9H-pyrido[2,3-b]indole-7-carboxamide
Synonyms  Source
TAK 901PubChem Compound
TAK901PubChem Compound
Registry NumbersSources
CAS:934541-31-8CAS