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CHEBI:231951 - danuglipron

ChEBI IDCHEBI:231951
ChEBI Namedanuglipron
Stars
DefinitionA benzimidazolecarboxylic acid that is 1H-benzimidazole substituted by (2S)-oxetan-2-ylmethyl, (4-{6-[(4-cyano-2-fluorobenzyl)oxy]pyridin-2-yl}piperidin-1-yl)methyl, and carboxy groups at positions 1, 2, and 6, respectively. It is a glucagon-like peptide-1 receptor agonist in development for the treatment of type 2 diabetes and obesity.
Last Modified12 September 2024
SubmitterAdnan
DownloadsMolfile
FormulaC31H30FN5O4
Net Charge0
Average Mass555.610
Monoisotopic Mass555.22818
SMILESN#Cc1ccc(COc2cccc(C3CCN(Cc4nc5ccc(C(=O)O)cc5n4C[C@@H]4CCO4)CC3)n2)c(F)c1
InChIInChI=1S/C31H30FN5O4/c32-25-14-20(16-33)4-5-23(25)19-41-30-3-1-2-26(35-30)21-8-11-36(12-9-21)18-29-34-27-7-6-22(31(38)39)15-28(27)37(29)17-24-10-13-40-24/h1-7,14-15,21,24H,8-13,17-19H2,(H,38,39)/t24-/m0/s1
InChIKeyHYBAKUMPISVZQP-DEOSSOPVSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
anti-obesity agent  Any substance which is used to reduce or control weight.
glucagon-like peptide-1 receptor agonist  An agonist that binds to and activates glucagon-like peptide-1 (GLP-1) receptors.
Application:
hypoglycemic agent  A drug which lowers the blood glucose level.
ChEBI Ontology
Outgoing Relation(s)
danuglipron (CHEBI:231951) has role anti-obesity agent (CHEBI:74518)
danuglipron (CHEBI:231951) has role glucagon-like peptide-1 receptor agonist (CHEBI:71196)
danuglipron (CHEBI:231951) has role hypoglycemic agent (CHEBI:35526)
danuglipron (CHEBI:231951) is a aromatic ether (CHEBI:35618)
danuglipron (CHEBI:231951) is a benzimidazolecarboxylic acid (CHEBI:35688)
danuglipron (CHEBI:231951) is a monofluorobenzenes (CHEBI:83575)
danuglipron (CHEBI:231951) is a nitrile (CHEBI:18379)
danuglipron (CHEBI:231951) is a oxetanes (CHEBI:38784)
danuglipron (CHEBI:231951) is a piperidines (CHEBI:26151)
danuglipron (CHEBI:231951) is a pyridines (CHEBI:26421)
IUPAC Name 
2-[(4-{6-[(4-cyano-2-fluorobenzyl)oxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-[(2S)-oxetan-2-ylmethyl]-1H-benzimidazole-6-carboxylic acid
INNs  Source
danugliprónWHO MedNet
danuglipronumWHO MedNet
danuglipronWHO MedNet
danuglipronWHO MedNet
Synonyms  Source
PF-06882961ChEBI
PF 06882961ChEBI
PF06882961ChEBI
Manual XrefsDatabases
D11910KEGG DRUG
DanuglipronWikipedia
UK4PDBeChem
Registry NumbersSources
CAS:2230198-02-2KEGG DRUG
Citations