CHEBI:138980 - AZD1979(1+)

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ChEBI Name AZD1979(1+)
ChEBI ID CHEBI:138980
Definition An ammonium ion resulting from the protonation of the tertiary amino group of AZD1979. A melanin concentrating hormone receptor 1 (MCHr1) antagonist.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C25H27N4O5
Net Charge +1
Average Mass 463.507
Monoisotopic Mass 463.19760
InChI InChI=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
InChIKey BKKPIQPFRAPEAY-UHFFFAOYSA-O
SMILES C1(CN(C1)C(C=2OC(=NN2)C3=CC=C(C=C3)OC)=O)OC4=CC=C(C=C4)C[NH+]5CC6(C5)COC6
Roles Classification
Biological Role(s): melanin-concentrating hormone receptor antagonist
An antagonist that attaches to and blocks melanin-concentrating hormone receptors.
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ChEBI Ontology
Outgoing 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 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 Sources
(3-(4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenoxy)azetidin-1-yl)(5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)methanone SUBMITTER
AZD 1979(1+) ChEBI
AZD-1979(1+) ChEBI
AZD1979 UniProt
Manual Xref Database
CPD-20318 MetaCyc
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Citations Waiting for Citations Types Sources
26741166 PubMed citation SUBMITTER
27256986 PubMed citation Europe PMC
27400775 PubMed citation Europe PMC
28556607 PubMed citation Europe PMC
28600384 PubMed citation SUBMITTER
Last Modified
28 November 2017