EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:138980 - AZD1979(1+)

ChEBI IDCHEBI:138980
ChEBI NameAZD1979(1+)
Stars
DefinitionAn ammonium ion resulting from the protonation of the tertiary amino group of AZD1979. A melanin concentrating hormone receptor 1 (MCHr1) antagonist.
Last Modified28 November 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC25H27N4O5
Net Charge+1
Average Mass463.514
Monoisotopic Mass463.19760
SMILESCOc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(C[NH+]5CC6(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/p+1
InChIKeyBKKPIQPFRAPEAY-UHFFFAOYSA-O
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(1+) (CHEBI:138980) has role melanin-concentrating hormone receptor antagonist (CHEBI:139155)
AZD1979(1+) (CHEBI:138980) is a ammonium ion derivative (CHEBI:35274)
AZD1979(1+) (CHEBI:138980) is conjugate acid of AZD1979 (CHEBI:139154)
Incoming Relation(s)
AZD1979 (CHEBI:139154) is conjugate base of AZD1979(1+) (CHEBI:138980)
IUPAC Name 
6-{4-[(1-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]carbonyl}azetidin-3-yl)oxy]benzyl}-2-oxa-6-azoniaspiro[3.3]heptane
Synonyms  Source
(3-(4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenoxy)azetidin-1-yl)(5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)methanoneSUBMITTER
AZD 1979(1+)ChEBI
AZD-1979(1+)ChEBI
UniProt Name  Source
AZD1979UniProt
Manual XrefsDatabases
CPD-20318MetaCyc
Citations