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CHEBI:234339 - AT-1015 free base

ChEBI IDCHEBI:234339
ChEBI NameAT-1015 free base
Stars
DefinitionA carbotricyclic compound that is 5H-dibenzo[a,d][7]annulene substituted by a 1-{2-[(1-formylpiperidine-4-carbonyl)amino]ethyl}piperidin-4-ylidene group at position 5.
Last Modified21 May 2025
SubmitterAdnan
DownloadsMolfile
FormulaC29H33N3O2
Net Charge0
Average Mass455.602
Monoisotopic Mass455.25728
SMILES[H]C(=O)N1CCC(C(=O)NCCN2CCC(=C3c4ccccc4C=Cc4ccccc43)CC2)CC1
InChIInChI=1S/C29H33N3O2/c33-21-32-18-13-25(14-19-32)29(34)30-15-20-31-16-11-24(12-17-31)28-26-7-3-1-5-22(26)9-10-23-6-2-4-8-27(23)28/h1-10,21,25H,11-20H2,(H,30,34)
InChIKeyBSPMYKLEFGUTSI-UHFFFAOYSA-N
Roles Classification
Biological Role:
serotonergic antagonist  Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
Application:
serotonergic antagonist  Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
ChEBI Ontology
Outgoing Relation(s)
AT-1015 free base (CHEBI:234339) has role serotonergic antagonist (CHEBI:48279)
AT-1015 free base (CHEBI:234339) is a aldehyde (CHEBI:17478)
AT-1015 free base (CHEBI:234339) is a carbotricyclic compound (CHEBI:38032)
AT-1015 free base (CHEBI:234339) is a piperidinecarboxamide (CHEBI:48592)
AT-1015 free base (CHEBI:234339) is a secondary carboxamide (CHEBI:140325)
AT-1015 free base (CHEBI:234339) is conjugate base of AT-1015(1+) (CHEBI:234342)
Incoming Relation(s)
AT-1015(1+) (CHEBI:234342) is conjugate acid of AT-1015 free base (CHEBI:234339)
IUPAC Name 
N-{2-[4-(5H-dibenzo[a,d][7]annulen-5-ylidene)piperidin-1-yl]ethyl}-1-formylpiperidine-4-carboxamide
Synonyms  Source
AT-1015 (free base)ChEBI
AT-1015 free base anhydrousChEBI
Registry NumbersSources
CAS:173722-21-9ChEBI