CHEBI:87461 - SIS3

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ChEBI Name SIS3
ChEBI ID CHEBI:87461
Definition A hydrochloride resulting from the reaction of SIS3 free base with 1 mol eq. of hydrogen chloride.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Margaret Duesbury
Supplier Information
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Formula C28H28ClN3O3
Net Charge 0
Average Mass 489.99300
Monoisotopic Mass 489.18192
InChI InChI=1S/C28H27N3O3.ClH/c1-30-27(19-8-5-4-6-9-19)22(23-10-7-14-29-28(23)30)11-12-26(32)31-15-13-20-16-24(33-2)25(34-3)17-21(20)18-31;/h4-12,14,16-17H,13,15,18H2,1-3H3;1H/b12-11+;
InChIKey CDKIEBFIMCSCBB-CALJPSDSSA-N
SMILES Cl.COc1cc2CCN(Cc2cc1OC)C(=O)\C=C\c1c(-c2ccccc2)n(C)c2ncccc12
Roles Classification
Biological Role(s): Smad3 inhibitor
An inhibitor of the SMAD3 protein.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing SIS3 (CHEBI:87461) has part SIS3 free base(1+) (CHEBI:87591)
SIS3 (CHEBI:87461) has role Smad3 inhibitor (CHEBI:87588)
SIS3 (CHEBI:87461) is a hydrochloride (CHEBI:36807)
IUPAC Name
(2E)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-3-(1-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-en-1-one hydrochloride
Synonyms Sources
(E)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-3-(1-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-en-1-one HCl ChEBI
specific inhibitor of SMAD3 ChEBI
Registry Number Type Source
10318892 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
16288083 PubMed citation Europe PMC
23690270 PubMed citation Europe PMC
24528038 PubMed citation Europe PMC
25945408 PubMed citation Europe PMC
25955797 PubMed citation Europe PMC
26045877 PubMed citation Europe PMC
26165845 PubMed citation Europe PMC
Last Modified
20 August 2015