Details of the Drug

General Information of Drug (ID: DM7OHR6)

• Drug Name: YM-440
• Synonyms: 2,2'-[2(Z)-Butene-1,4-diyl]dioxybis(1,4-phenylene)bis(methylene)bis[1,2,4-oxadiazole-3,5(2H,4H)-dione]

Indication

Disease Entry	ICD 11	Status	REF
Type-1 diabetes	5A10	Discontinued in Phase 2	[1]

• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 468.4
  Logarithm of the Partition Coefficient (xlogp); 2.4
  Rotatable Bond Count (rotbonds); 10
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C22H20N4O8
  IUPAC Name: 2-[[4-[(Z)-4-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]but-2-enoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
  Canonical SMILES: C1=CC(=CC=C1CN2C(=O)NC(=O)O2)OC/C=C\\COC3=CC=C(C=C3)CN4C(=O)NC(=O)O4
  InChI: InChI=1S/C22H20N4O8/c27-19-23-21(29)33-25(19)13-15-3-7-17(8-4-15)31-11-1-2-12-32-18-9-5-16(6-10-18)14-26-20(28)24-22(30)34-26/h1-10H,11-14H2,(H,23,27,29)(H,24,28,30)/b2-1-
  InChIKey: LUACLLSCZRRTIH-UPHRSURJSA-N
• Cross-matching ID:
  PubChem CID: 9890786
  TTD ID: D0KL3K

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Peroxisome proliferator-activated receptor gamma (PPAR-gamma)	TTZMAO3	PPARG_HUMAN	Inhibitor	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Type-1 diabetes
• ICD Disease Classification: 5A10

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Peroxisome proliferator-activated receptor gamma (PPAR-gamma)	DTT	PPARG	2.41E-01	-0.06	-0.25

References

• [1] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800010082)
• [2] The novel hypoglycemic agent YM440 improves hepatic insulin resistance in obese Zucker fatty rats. J Pharmacol Sci. 2006 Aug;101(4):311-7.