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CHEBI:73338 - AF-DX 384

ChEBI IDCHEBI:73338
ChEBI NameAF-DX 384
Stars
DefinitionA pyridobenzodiazepine that acts as a selective antagonist of the muscarinic acetylcholine receptors.
Last Modified1 May 2013
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC27H38N6O2
Net Charge0
Average Mass478.641
Monoisotopic Mass478.30562
SMILESCCCN(CCC)C[C@H]1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc21
InChIInChI=1S/C27H38N6O2/c1-3-16-31(17-4-2)20-21-10-7-8-18-32(21)19-15-29-27(35)33-24-13-6-5-11-22(24)26(34)30-23-12-9-14-28-25(23)33/h5-6,9,11-14,21H,3-4,7-8,10,15-20H2,1-2H3,(H,29,35)(H,30,34)/t21-/m1/s1
InChIKeyMZDYABXXPZNUCT-OAQYLSRUSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
muscarinic antagonist  A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.
Application:
muscarinic antagonist  A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.
ChEBI Ontology
Outgoing Relation(s)
AF-DX 384 (CHEBI:73338) has role muscarinic antagonist (CHEBI:48876)
AF-DX 384 (CHEBI:73338) is a piperidines (CHEBI:26151)
AF-DX 384 (CHEBI:73338) is a pyridobenzodiazepine (CHEBI:71329)
AF-DX 384 (CHEBI:73338) is a tertiary amino compound (CHEBI:50996)
AF-DX 384 (CHEBI:73338) is a ureas (CHEBI:47857)
IUPAC Name 
N-(2-{(2H)-2-[(dipropylamino)methyl]piperidin-1-yl}ethyl)-6-oxo-5,6-dihydro-11H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide
Synonyms  Source
BIBN-161ChEBI
AFDX-384ChEBI
(R)-(−)-AF-DX 384ChEBI
Manual XrefsDatabases
AFDX-384Wikipedia
Registry NumbersSources
Reaxys:8523014Reaxys
Citations