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CHEBI:140465 - ANA-12

ChEBI IDCHEBI:140465
ChEBI NameANA-12
Stars
DefinitionA secondary carboxamide that is anthranilic acid in which the carboxy group has undergone condensation with the primary amino group of α-amino-ε-caprolactam, while the aryl-amino group has undergone condensation with the carboxy group of 1-benzothiophene-2-carboxylic acid. It is a selective, non-competitive antagonist of tropomyosin receptor kinase B (TrkB, also known as tyrosine receptor kinase B).
Last Modified18 July 2019
SubmitterTheOtherDave
DownloadsMolfile
FormulaC22H21N3O3S
Net Charge0
Average Mass407.495
Monoisotopic Mass407.13036
SMILESO=C(Nc1ccccc1C(=O)NC1CCCCNC1=O)c1cc2ccccc2s1
InChIInChI=1S/C22H21N3O3S/c26-20(25-17-10-5-6-12-23-21(17)27)15-8-2-3-9-16(15)24-22(28)19-13-14-7-1-4-11-18(14)29-19/h1-4,7-9,11,13,17H,5-6,10,12H2,(H,23,27)(H,24,28)(H,25,26)
InChIKeyTUSCYCAIGRVBMD-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
tropomyosin-related kinase B receptor antagonist  An antagonist that binds to and deactivates the tropomyosin-related kinase B (TrkB) receptor, the main signaling receptor of the neurotrophin brain-derived neurotrophic factor (BDNF).
Applications:
antidepressant  Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
anxiolytic drug  Anxiolytic drugs are agents that alleviate anxiety, tension, and anxiety disorders, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions.
ChEBI Ontology
Outgoing Relation(s)
ANA-12 (CHEBI:140465) has functional parent 2-aminohexano-6-lactam (CHEBI:19471)
ANA-12 (CHEBI:140465) has functional parent anthranilic acid (CHEBI:30754)
ANA-12 (CHEBI:140465) has role antidepressant (CHEBI:35469)
ANA-12 (CHEBI:140465) has role anxiolytic drug (CHEBI:35474)
ANA-12 (CHEBI:140465) has role tropomyosin-related kinase B receptor antagonist (CHEBI:78681)
ANA-12 (CHEBI:140465) is a 1-benzothiophenes (CHEBI:38836)
ANA-12 (CHEBI:140465) is a caprolactams (CHEBI:23000)
ANA-12 (CHEBI:140465) is a secondary carboxamide (CHEBI:140325)
IUPAC Name 
N-{2-[(2-oxoazepan-3-yl)carbamoyl]phenyl}-1-benzothiophene-2-carboxamide
Synonyms  Source
TrkB antagonistSUBMITTER
ANA12ChEBI
Manual XrefsDatabases
ANA-12Wikipedia
Registry NumbersSources
Reaxys:29788980Reaxys
CAS:219766-25-3Wikipedia
Citations