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CHEBI:234559 - SETDB1-TTD-IN-1

ChEBI IDCHEBI:234559
ChEBI NameSETDB1-TTD-IN-1
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC28H31N5O2
Net Charge0
Average Mass469.589
Monoisotopic Mass469.24778
SMILES[H][C@]1(/N=c2\nc3ccnc3c(=O)n2CC=C)CN(C)C[C@@]([H])(c2ccc(OCc3ccccc3)cc2)C1
InChIInChI=1S/C28H31N5O2/c1-3-15-33-27(34)26-25(13-14-29-26)31-28(33)30-23-16-22(17-32(2)18-23)21-9-11-24(12-10-21)35-19-20-7-5-4-6-8-20/h3-14,22-23,29H,1,15-19H2,2H3,(H,30,31)/t22-,23+/m0/s1
InChIKeyNBDJDKAXIGWAIM-XZOQPEGZSA-N
Roles Classification
Biological Role:
EC 2.1.1.* (methyltransferases) inhibitor  An EC 2.1.* (C1-transferase) inhibitor that interferes with the action of any methyltransferase (EC 2.1.1.*).
ChEBI Ontology
Outgoing Relation(s)
SETDB1-TTD-IN-1 (CHEBI:234559) has role EC 2.1.1.* (methyltransferases) inhibitor (CHEBI:76871)
SETDB1-TTD-IN-1 (CHEBI:234559) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
2-[[(3R,5R)-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-3-prop-2-enyl-5H-pyrrolo[3,2-d]pyrimidin-4-one
Synonym  Source
(R,R)-59SUBMITTER
Citations