Details of the Drug

General Information of Drug (ID: DMVD5TA)

• Drug Name: Azachalcone derivative 1
• Synonyms: PMID26560530-Compound-41
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 254.24
  Logarithm of the Partition Coefficient (xlogp); 2.4
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C14H10N2O3
  IUPAC Name: (E)-3-(4-nitrophenyl)-1-pyridin-3-ylprop-2-en-1-one
  Canonical SMILES: C1=CC(=CN=C1)C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]
  InChI: InChI=1S/C14H10N2O3/c17-14(12-2-1-9-15-10-12)8-5-11-3-6-13(7-4-11)16(18)19/h1-10H/b8-5+
  InChIKey: DFXQMCHHZQLWHB-VMPITWQZSA-N
• Cross-matching ID:
  PubChem CID: 5872358
  TTD ID: D0W5ND

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.