Details of the Drug

General Information of Drug (ID: DMZVB5U)

• Drug Name: Peptide analog 54
• Synonyms: PMID26560530-Compound-43
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 513
  Logarithm of the Partition Coefficient (xlogp); 4.2
  Rotatable Bond Count (rotbonds); 12
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C27H33ClN4O4
  IUPAC Name: benzyl N-[(2S)-1-[4-(2-chlorophenyl)piperazin-1-yl]-1-oxo-6-(prop-2-enoylamino)hexan-2-yl]carbamate
  Canonical SMILES: C=CC(=O)NCCCC[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2Cl)NC(=O)OCC3=CC=CC=C3
  InChI: InChI=1S/C27H33ClN4O4/c1-2-25(33)29-15-9-8-13-23(30-27(35)36-20-21-10-4-3-5-11-21)26(34)32-18-16-31(17-19-32)24-14-7-6-12-22(24)28/h2-7,10-12,14,23H,1,8-9,13,15-20H2,(H,29,33)(H,30,35)/t23-/m0/s1
  InChIKey: KYVYJVRZPFRADU-QHCPKHFHSA-N
• Cross-matching ID:
  PubChem CID: 71459385
  TTD ID: D0UR1H

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.