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) [1,3]. 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
BindingDB Ligand 349662
ChEMBL Ligand CHEMBL4518483
GtoPdb PubChem SID 472319186
PubChem CID 134611040
RCSB PDB Ligand UK4
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