CHEBI:142183 - (2S)-1-(6-chloro-5-fluoroindol-1-yl)-propan-2-amine

ChEBI IDCHEBI:142183
ChEBI Name(2S)-1-(6-chloro-5-fluoroindol-1-yl)-propan-2-amine
Stars
ASCII Name(2S)-1-(6-chloro-5-fluoroindol-1-yl)-propan-2-amine
DefinitionA 1-(6-chloro-5-fluoroindol-1-yl)-propan-2-amine that has S configuration. A selective agonist for both the 5-hydroxytryptamine 2B (5-HT2B) and 5-hydroxytryptamine 2C (5-HT2C)serotonin receptor subtypes, commonly used as fumarate salt.
Last Modified11 September 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC11H12ClFN2
Net Charge0
Average Mass226.682
Monoisotopic Mass226.06730
SMILESC[C@H](N)Cn1ccc2cc(F)c(Cl)cc21
InChIInChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1
InChIKeyXJJZQXUGLLXTHO-ZETCQYMHSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
5-hydroxytryptamine 2B receptor agonist  An agonist at the 5-hydroxytryptamine 2B (5-HT2B) receptor.
5-hydroxytryptamine 2C receptor agonist  An agonist at the 5-hydroxytryptamine 2B (5-HT2C) receptor.
ChEBI Ontology
Outgoing Relation(s)
(2S)-1-(6-chloro-5-fluoroindol-1-yl)-propan-2-amine (CHEBI:142183) has role 5-hydroxytryptamine 2B receptor agonist (CHEBI:142184)
(2S)-1-(6-chloro-5-fluoroindol-1-yl)-propan-2-amine (CHEBI:142183) has role 5-hydroxytryptamine 2C receptor agonist (CHEBI:142185)
(2S)-1-(6-chloro-5-fluoroindol-1-yl)-propan-2-amine (CHEBI:142183) is a 1-(6-chloro-5-fluoroindol-1-yl)-propan-2-amine (CHEBI:91736)
IUPAC Name 
(2S)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-amine
Synonyms  Source
Ro60-0175ChEBI
(1S)-2-(6-chloro-5-fluoroindol-1-yl)-1-methylethylamineChEBI
Ro-60-0175ChEBI
Ro 60-0175ChEBI
(S)-2-(6-chloro-5-fluoroindol-1-yl)-1-methylethylamineChEBI
(S)-6-chloro-5-fluoro-α-methyl-1H-indole-1-ethanamineChEBI
Manual XrefsDatabases
Ro60-0175Wikipedia
LSM-1601LINCS
EP655440Patent
Registry NumbersSources
Reaxys:7795121Reaxys
Citations