Details of the Drug

General Information of Drug (ID: DM2X4R0)

• Drug Name: PMID26560530-Compound-54
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 225.28
  Logarithm of the Partition Coefficient (xlogp); 1.1
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C12H19NO3
  IUPAC Name: 1-(furan-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one
  Canonical SMILES: CC(C)N(CCC(=O)C1=CC=CO1)CCO
  InChI: InChI=1S/C12H19NO3/c1-10(2)13(7-8-14)6-5-11(15)12-4-3-9-16-12/h3-4,9-10,14H,5-8H2,1-2H3
  InChIKey: DCZMNFQBOIDRNH-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 46231396
  TTD ID: D00SAH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Tissue transglutaminase (TG2)	TT2F4OL	TGM2_HUMAN	Inhibitor	[1]

References

• [1] Transglutaminase inhibitors: a patent review.Expert Opin Ther Pat. 2016;26(1):49-63.