Details of the Drug

General Information of Drug (ID: DM8YN42)

• Drug Name: TUG-469
• Synonyms: Free fatty acid receptor 1 agonist (type 2 diabetes), University of Souther Denmark

Indication

Disease Entry	ICD 11	Status	REF
Non-insulin dependent diabetes	5A11	Investigative	[1]

• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 345.4
  Logarithm of the Partition Coefficient (xlogp); 5.1
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C23H23NO2
  IUPAC Name: 3-[4-[[3-(2-methylphenyl)phenyl]methylamino]phenyl]propanoic acid
  Canonical SMILES: CC1=CC=CC=C1C2=CC=CC(=C2)CNC3=CC=C(C=C3)CCC(=O)O
  InChI: InChI=1S/C23H23NO2/c1-17-5-2-3-8-22(17)20-7-4-6-19(15-20)16-24-21-12-9-18(10-13-21)11-14-23(25)26/h2-10,12-13,15,24H,11,14,16H2,1H3,(H,25,26)
  InChIKey: RUPXKSLKGSSZCP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 46941175
  TTD ID: D08MLH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Free fatty acid receptor 1 (GPR40)	TTB8FUC	FFAR1_HUMAN	Agonist	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Non-insulin dependent diabetes
• ICD Disease Classification: 5A11

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Free fatty acid receptor 1 (GPR40)	DTT	FFAR1	6.14E-01	-0.08	-1.33

References

• [1] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 225).