CHEBI:140953 - 6-chloro-5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-2,3-dihydroindole-1-carboxamide;dihydrochloride

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ChEBI Name 6-chloro-5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-2,3-dihydroindole-1-carboxamide;dihydrochloride
ChEBI ID CHEBI:140953
Stars This entity has been manually annotated by a third party.
Submitter Ceri
Supplier Information
Download Molfile XML SDF
Formula C21H21Cl3N4O2
Net Charge 0
Average Mass 467.777
Monoisotopic Mass 466.07301
InChI InChI=1S/C21H19ClN4O2.2ClH/c1-13-10-15-7-9-26(18(15)11-17(13)22)21(27)25-16-5-6-20(24-12-16)28-19-4-3-8-23-14(19)2;;/h3-6,8,10-12H,7,9H2,1-2H3,(H,25,27);2*1H
InChIKey GCMNSEILNIPNSX-UHFFFAOYSA-N
SMILES ClC1=CC=2N(CCC2C=C1C)C(=O)NC=3C=CC(OC4=C(N=CC=C4)C)=NC3[H].Cl[H].Cl[H]
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
(via pyridine )
NMR chemical shift reference compound
Any compound that produces a peak used to reference an NMR spectrum during data pre-processing.
(via pyridine )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
Application(s): receptor modulator
A drug that acts as an antagonist, agonist, reverse agonist, or in some other fashion when interacting with cellular receptors.
(via 6-chloro-5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-2,3-dihydroindole-1-carboxamide;dihydrochloride )
NMR chemical shift reference compound
Any compound that produces a peak used to reference an NMR spectrum during data pre-processing.
(via pyridine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 6-chloro-5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-2,3-dihydroindole-1-carboxamide;dihydrochloride (CHEBI:140953) has role receptor modulator (CHEBI:90710)
6-chloro-5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-2,3-dihydroindole-1-carboxamide;dihydrochloride (CHEBI:140953) is a indole alkaloid (CHEBI:38958)
6-chloro-5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-2,3-dihydroindole-1-carboxamide;dihydrochloride (CHEBI:140953) is a organic molecular entity (CHEBI:50860)
6-chloro-5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-2,3-dihydroindole-1-carboxamide;dihydrochloride (CHEBI:140953) is a pyridine (CHEBI:16227)
Synonyms Sources
6-Chloro-5-methyl-1-[[2-(2-methylpyrid-3-yloxy)pyrid-5-yl]carbamoyl]indoline dihydrochloride hydrate SUBMITTER
SB 242084 dihydrochloride SUBMITTER
Manual Xref Database
16219981 Pubchem accession
View more database links
Registry Number Type Source
181632-25-7 CAS Registry Number SUBMITTER