EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:138017 - 1-(5-fluoropentyl)-3-(2-iodobenzoyl)indole

ChEBI IDCHEBI:138017
ChEBI Name1-(5-fluoropentyl)-3-(2-iodobenzoyl)indole
Stars
DefinitionA member of the class of indoles that is 1H-indole which is substituted at position 1 by a 5-fluoropentyl group and a position 3 by an o-fluorobenzoyl group. It is a selective agonist for the CB1 cannabinoid receptor; Ki values for the CB1 and CB2 receptors are 0.08 and 1.44 nM, respectively.
Last Modified27 July 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H19FINO
Net Charge0
Average Mass435.280
Monoisotopic Mass435.04954
SMILESO=C(c1ccccc1I)c1cn(CCCCCF)c2ccccc12
InChIInChI=1S/C20H19FINO/c21-12-6-1-7-13-23-14-17(15-8-3-5-11-19(15)23)20(24)16-9-2-4-10-18(16)22/h2-5,8-11,14H,1,6-7,12-13H2
InChIKeyLFFIIZFINPPEMC-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
cannabinoid receptor agonist  An agonist that binds to and activates cannabinoid receptors.
cannabinoid receptor agonist  An agonist that binds to and activates cannabinoid receptors.
ChEBI Ontology
Outgoing Relation(s)
1-(5-fluoropentyl)-3-(2-iodobenzoyl)indole (CHEBI:138017) has role cannabinoid receptor agonist (CHEBI:67072)
1-(5-fluoropentyl)-3-(2-iodobenzoyl)indole (CHEBI:138017) is a aromatic ketone (CHEBI:76224)
1-(5-fluoropentyl)-3-(2-iodobenzoyl)indole (CHEBI:138017) is a indoles (CHEBI:24828)
1-(5-fluoropentyl)-3-(2-iodobenzoyl)indole (CHEBI:138017) is a organofluorine compound (CHEBI:37143)
1-(5-fluoropentyl)-3-(2-iodobenzoyl)indole (CHEBI:138017) is a organoiodine compound (CHEBI:37142)
1-(5-fluoropentyl)-3-(2-iodobenzoyl)indole (CHEBI:138017) is a synthetic cannabinoid (CHEBI:67201)
IUPAC Name 
[1-(5-fluoropentyl)-1H-indol-3-yl](2-iodophenyl)methanone
Synonyms  Source
AM-694ChemIDplus
1-(5-fluoropentyl)-3-(2-iodobenzoyl)indoleChemIDplus
AM694ChemIDplus
Manual XrefsDatabases
AM-694Wikipedia
WO200128557Patent
Registry NumbersSources
Reaxys:22454720Reaxys
CAS:335161-03-0ChemIDplus
Citations