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CHEBI:139154 - AZD1979

ChEBI IDCHEBI:139154
ChEBI NameAZD1979
Stars
DefinitionA carboxamide resulting from the formal condensation of the carboxy group of 5-(p-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylic acid with the amino group of 3-phenoxyazetidine and in which the phenoxy group has been substituted at the para- position by a 2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl group. It is a melanin concentrating hormone receptor 1 (MCHr1) antagonist.
Last Modified28 November 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC25H26N4O5
Net Charge0
Average Mass462.506
Monoisotopic Mass462.19032
SMILESCOc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN5CC6(COC6)C5)cc4)C3)o2)cc1
InChIInChI=1S/C25H26N4O5/c1-31-19-8-4-18(5-9-19)22-26-27-23(34-22)24(30)29-11-21(12-29)33-20-6-2-17(3-7-20)10-28-13-25(14-28)15-32-16-25/h2-9,21H,10-16H2,1H3
InChIKeyBKKPIQPFRAPEAY-UHFFFAOYSA-N
Roles Classification
Biological Role:
melanin-concentrating hormone receptor antagonist  An antagonist that attaches to and blocks melanin-concentrating hormone receptors.
ChEBI Ontology
Outgoing Relation(s)
AZD1979 (CHEBI:139154) has role melanin-concentrating hormone receptor antagonist (CHEBI:139155)
AZD1979 (CHEBI:139154) is a N-acylazetidine (CHEBI:46959)
AZD1979 (CHEBI:139154) is a aromatic ether (CHEBI:35618)
AZD1979 (CHEBI:139154) is a azaspiro compound (CHEBI:35624)
AZD1979 (CHEBI:139154) is a carboxamide (CHEBI:37622)
AZD1979 (CHEBI:139154) is a oxadiazole (CHEBI:46685)
AZD1979 (CHEBI:139154) is a oxaspiro compound (CHEBI:37948)
AZD1979 (CHEBI:139154) is a oxetanes (CHEBI:38784)
AZD1979 (CHEBI:139154) is conjugate base of AZD1979(1+) (CHEBI:138980)
Incoming Relation(s)
AZD1979 oxetane hydrolysis product (CHEBI:139019) has functional parent AZD1979 (CHEBI:139154)
AZD1979(1+) (CHEBI:138980) is conjugate acid of AZD1979 (CHEBI:139154)
IUPAC Name 
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]{3-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenoxy]azetidin-1-yl}methanone
Synonyms  Source
AZD 1979ChemIDplus
AZD-1979ChemIDplus
Manual XrefsDatabases
WO2010125390Patent
CPD-20318MetaCyc
Registry NumbersSources
Reaxys:20834832Reaxys
CAS:1254035-84-1ChemIDplus
Citations