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CHEBI:234609 - WP1066

Default Structure
ChEBI IDCHEBI:234609
ChEBI NameWP1066
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC17H14BrN3O
Net Charge0
Average Mass356.223
Monoisotopic Mass355.03202
SMILES[H]/C(=C(C#N)\C(O)=N\[C@@]([H])(C)c1ccccc1)c1cccc(Br)n1
InChIInChI=1S/C17H14BrN3O/c1-12(13-6-3-2-4-7-13)20-17(22)14(11-19)10-15-8-5-9-16(18)21-15/h2-10,12H,1H3,(H,20,22)/b14-10+/t12-/m0/s1
InChIKeyVFUAJMPDXIRPKO-LQELWAHVSA-N
Roles Classification
Biological Role:
STAT3 inhibitor  An inhibitor of signal transducer and activator of transcription 3 (STAT3)
ChEBI Ontology
Outgoing Relation(s)
WP1066 (CHEBI:234609) has role STAT3 inhibitor (CHEBI:87183)
WP1066 (CHEBI:234609) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
(E)-3-(6-bromopyridin-2-yl)-2-cyano-N-[(1S)-1-phenylethyl]prop-2-enamide
Synonym  Source
WP 1066SUBMITTER
Manual XrefsDatabases
DB12679DrugBank
Registry NumbersSources
CAS:857064-38-1SUBMITTER
Citations