Details of the Drug

General Information of Drug (ID: DMST6C2)

• Drug Name: PMID26560530-Compound-49
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 420.8
  Logarithm of the Partition Coefficient (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C17H14ClFN6O2S
  IUPAC Name: 2-[2-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(3-chloro-4-fluorophenyl)acetamide
  Canonical SMILES: CC(=O)NC1=CC(=CC=C1)N2N=C(N=N2)SCC(=O)NC3=CC(=C(C=C3)F)Cl
  InChI: InChI=1S/C17H14ClFN6O2S/c1-10(26)20-11-3-2-4-13(7-11)25-23-17(22-24-25)28-9-16(27)21-12-5-6-15(19)14(18)8-12/h2-8H,9H2,1H3,(H,20,26)(H,21,27)
  InChIKey: NIWRZNPQACMKRY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 2810536
  TTD ID: D0O9JZ

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.