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> Main
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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Molfile
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Molfile
Molfile
Molfile
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.
View more via ChEBI Ontology
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
View more database links
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