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CHEBI:233993 - AC-4-248

ChEBI IDCHEBI:233993
ChEBI NameAC-4-248
Stars
DefinitionAn organochlorine compound that is 2,3,4,9-tetrahydro-1H-β-carboline substituted by 3-butanamidopropyl and chloro groups at positions 2 and 6, respectively. It is a non-competitive inhibitor of dopamine transporter (IC50 = 45.5 μM for human DAT).
Last Modified17 April 2025
SubmitterFlyBase
DownloadsMolfile
FormulaC18H24ClN3O
Net Charge0
Average Mass333.863
Monoisotopic Mass333.16079
SMILESCCCC(=O)NCCCN1CCc2c(nc3ccc(Cl)cc23)C1
InChIInChI=1S/C18H24ClN3O/c1-2-4-18(23)20-8-3-9-22-10-7-14-15-11-13(19)5-6-16(15)21-17(14)12-22/h5-6,11,21H,2-4,7-10,12H2,1H3,(H,20,23)
InChIKeyAUJJZIKBHNXABX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
AC-4-248 (CHEBI:233993) is a butanamides (CHEBI:22965)
AC-4-248 (CHEBI:233993) is a organochlorine compound (CHEBI:36683)
AC-4-248 (CHEBI:233993) is a secondary carboxamide (CHEBI:140325)
AC-4-248 (CHEBI:233993) is a β-carbolines (CHEBI:60834)
IUPAC Name 
N-[3-(6-chloro-1,3,4,9-tetrahydro-2H-β-carbolin-2-yl)propyl]butanamide
Synonym  Source
N-[3-(6-chloranyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]butanamidePDBeChem
Manual XrefsDatabases
A1H8FPDBeChem
Citations