Details of the Drug

General Information of Drug (ID: DMJ98VG)

• Drug Name: 3-acylidene-2-oxoindole derivative 2
• Synonyms: PMID26560530-Compound-30
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 313.7
  Logarithm of the Partition Coefficient (xlogp); 3
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C17H12ClNO3
  IUPAC Name: (3E)-4-chloro-3-[2-(2-methoxyphenyl)-2-oxoethylidene]-1H-indol-2-one
  Canonical SMILES: COC1=CC=CC=C1C(=O)/C=C/2\\C3=C(C=CC=C3Cl)NC2=O
  InChI: InChI=1S/C17H12ClNO3/c1-22-15-8-3-2-5-10(15)14(20)9-11-16-12(18)6-4-7-13(16)19-17(11)21/h2-9H,1H3,(H,19,21)/b11-9+
  InChIKey: ULAXMAMZNHGQMV-PKNBQFBNSA-N
• Cross-matching ID:
  PubChem CID: 54584758
  TTD ID: D0L7MP

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.