danuglipron   Click here for help

GtoPdb Ligand ID: 12064

Synonyms: PF-06882961 | PF06882961
PDB Ligand
Compound class: Synthetic organic
Comment: Danuglipron (PF-06882961) is a small molecule, non-peptide, orally active agonist of the human (and monkey) glucagon-like peptide-1 receptor (GLP-1R) [1,4]. It was developed as an alternative to established peptide GLP-1R agonists that are used to treat diabetes, and in some instances, obesity (e.g. liraglutide and semaglutide). Danuglipron appears to be a partial agonist in recruiting β-arrestin-2 to GLP-1R (EC50 490 nM) [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 113.5
Molecular weight 555.23
XLogP 4.31
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES N#Cc1ccc(c(c1)F)COc1cccc(n1)C1CCN(CC1)Cc1nc2c(n1C[C@@H]1CCO1)cc(cc2)C(=O)O
Isomeric SMILES Fc1cc(C#N)ccc1COc1cccc(C2CCN(Cc3nc4ccc(C(=O)O)cc4n3C[C@@H]3CCO3)CC2)n1
InChI InChI=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
InChI Key HYBAKUMPISVZQP-DEOSSOPVSA-N
Classification Click here for help
Compound class Synthetic organic
International Nonproprietary Names Click here for help
INN number INN
11630 danuglipron
Synonyms Click here for help
PF-06882961 | PF06882961
Database Links Click here for help
Specialist databases
GPCRdb Ligand danuglipron
Other databases
BindingDB Ligand 349662
ChEMBL Ligand CHEMBL4518483
GtoPdb PubChem SID 472319186
PubChem CID 134611040
RCSB PDB Ligand UK4
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UniChem Compound Search for chemical match using the InChIKey HYBAKUMPISVZQP-DEOSSOPVSA-N
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