Details of the Drug

General Information of Drug (ID: DM7EJ8S)

• Drug Name: PF-06882961
• Synonyms: 2230198-02-2; UNII-DN9IUI24GP; DN9IUI24GP; 2230198-02-2 (free acid); (S)-2-((4-(6-((4-cyano-2-fluorobenzyl)oxy)pyridin-2-yl)piperidin-1-yl)methyl)-1-(oxetan-2-ylmethyl)-1H-benzo[d]imidazole-6-carboxylic acid; 2-[(4-{6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-{[(2S)-oxetan-2-yl]methyl}-1H-benzimidazole-6-carboxylic acid; Danuglipron; UK4; Danuglipron [USAN]; CHEMBL4518483; SCHEMBL20266351; BDBM349662; EX-A3607; WHO 11630; US10208019, Example 1A-09; US10208019, Example 4A-01; 2-[[4-[6-[(4-cyano-2-fluoro-phenyl)methoxy]-2-pyridyl]-1-piperidyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid; AC-31472; PF6882961; Q63141738; 1H-Benzimidazole-6-carboxylic acid, 2-((4-(6-((4-cyano-2-fluorophenyl)methoxy)-2-pyridinyl)-1-piperidinyl)methyl)-1-((2S)-2-oxetanylmethyl)-; 2-{[4-(6-{[(4-cyano-2-fluorophenyl)(methyl-d2)]oxy}pyridin-2-yl)piperidin-1-yl]methyl}-1-[(2S)-oxetan-2-ylmethyl]-1H-benzimidazole-6-carboxylic acid; C(#N)C1=CC(=C(COC2=CC=CC(=N2)C2CCN(CC2)CC2=NC3=C(N2C[C@H]2OCC2)C=C(C=C3)C(=O)O)C=C1)F

Indication

Disease Entry	ICD 11	Status	REF
Type 2 diabetes	5A11	Phase 2	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 555.6
  Logarithm of the Partition Coefficient (xlogp); 1.4
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 9
• Chemical Identifiers:
  Formula: C31H30FN5O4
  IUPAC Name: 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
  Canonical SMILES: C1CO[C@@H]1CN2C3=C(C=CC(=C3)C(=O)O)N=C2CN4CCC(CC4)C5=NC(=CC=C5)OCC6=C(C=C(C=C6)C#N)F
  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
  InChIKey: HYBAKUMPISVZQP-DEOSSOPVSA-N
• Cross-matching ID:
  PubChem CID: 134611040
  CAS Number: 2230198-02-2
  DrugBank ID: DB16043
  TTD ID: D5XV9K

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glucagon-like peptide 1 receptor (GLP1R)	TTVIMDE	GLP1R_HUMAN	Agonist	[2]

Molecular Expression Atlas of This Drug

• ICD Disease Classification: 05 Endocrine, nutritional or metabolic disease
• Disease Class: ICD-11: 5A11 Type 2 diabetes mellitus
• The Studied Tissue: Liver tissue
• The Studied Disease: Type 2 diabetes [ICD-11:5A11]

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Glucagon-like peptide 1 receptor (GLP1R)	DTT	GLP1R	1.25E-01	0.17	1.26

References

• [1] ClinicalTrials.gov (NCT03985293) A 16 Week Study to Evaluate the Efficacy and Safety of PF-06882961 in Adults With Type 2 Diabetes Mellitus. U.S. National Institutes of Health.
• [2] Differential GLP-1R Binding and Activation by Peptide and Non-peptide Agonists. Mol Cell. 2020 Nov 5;80(3):485-500.e7.