Details of the Drug

General Information of Drug (ID: DMKF26Z)

• Drug Name: PMID26560530-Compound-13
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 482.5
  Logarithm of the Partition Coefficient (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 12
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 11
• Chemical Identifiers:
  Formula: C18H22N6O6S2
  IUPAC Name: 2-[imidazo[1,2-d][1,2,4]thiadiazol-3-yl-[6-[(2-nitrophenyl)sulfonylamino]hexyl]amino]acetic acid
  Canonical SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NCCCCCCN(CC(=O)O)C2=NSC3=NC=CN23
  InChI: InChI=1S/C18H22N6O6S2/c25-16(26)13-22(17-21-31-18-19-10-12-23(17)18)11-6-2-1-5-9-20-32(29,30)15-8-4-3-7-14(15)24(27)28/h3-4,7-8,10,12,20H,1-2,5-6,9,11,13H2,(H,25,26)
  InChIKey: NCXBWLQKBKSTHD-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11202494
  TTD ID: D0KK6L

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Coagulation factor XIIIA (F13A1)	TTXI2RA	F13A_HUMAN	Inhibitor	[1]
Tissue transglutaminase (TG2)	TT2F4OL	TGM2_HUMAN	Inhibitor	[1]

References

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