Details of the Drug

General Information of Drug (ID: DM2FUIB)

• Drug Name: Acyl piperidine derivative 2
• Synonyms: PMID26560530-Compound-44
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 456.3
  Logarithm of the Partition Coefficient (xlogp); 0.9
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C18H22BrN3O6
  IUPAC Name: (4-methoxycarbonylphenyl)methyl 4-[2-[(2-bromoacetyl)amino]acetyl]piperazine-1-carboxylate
  Canonical SMILES: COC(=O)C1=CC=C(C=C1)COC(=O)N2CCN(CC2)C(=O)CNC(=O)CBr
  InChI: InChI=1S/C18H22BrN3O6/c1-27-17(25)14-4-2-13(3-5-14)12-28-18(26)22-8-6-21(7-9-22)16(24)11-20-15(23)10-19/h2-5H,6-12H2,1H3,(H,20,23)
  InChIKey: DHKHYJYAEPJCDA-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 73504704
  TTD ID: D06YBF

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.