Details of the Drug

General Information of Drug (ID: DM7C4U9)

• Drug Name: DS-7309

Indication

Disease Entry	ICD 11	Status	REF
Diabetic complication	5A2Y	Phase 1	[1]

• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 217.31
  Logarithm of the Partition Coefficient (xlogp); 2.4
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C14H19NO
  IUPAC Name: 1-benzyl-3,5-dimethylpiperidin-4-one
  Canonical SMILES: CC1CN(CC(C1=O)C)CC2=CC=CC=C2
  InChI: InChI=1S/C14H19NO/c1-11-8-15(9-12(2)14(11)16)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3
  InChIKey: KUUYMZATYJQLLZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 22278920
  CAS Number: 836-21-5
  TTD ID: D03MDW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glucokinase (GCK)	TTDLNGZ	HXK4_HUMAN	Inhibitor	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Diabetic complication
• ICD Disease Classification: 5A2Y

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Glucokinase (GCK)	DTT	GCK	2.72E-01	0.76	0.52

References

• [1] ClinicalTrials.gov (NCT01956305) Randomized, Placebo-controlled, 2 Period, Single-blind, Sequential, Multiple Ascending Dose Study. U.S. National Institutes of Health.
• [2] Glucokinase alternative. SciBX 6(45); doi:10.1038/scibx.2013.1279. Nov. 21 2013