Details of the Drug

General Information of Drug (ID: DM8L0MN)

• Drug Name: 3-acylidene-2-oxoindole derivative 1
• Synonyms: PMID26560530-Compound-29
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 360.8
  Logarithm of the Partition Coefficient (xlogp); 3.7
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C21H13ClN2O2
  IUPAC Name: (3E)-4-chloro-3-(2-oxo-2-pyridin-3-ylethylidene)-1-phenylindol-2-one
  Canonical SMILES: C1=CC=C(C=C1)N2C3=C(C(=CC=C3)Cl)/C(=C\\C(=O)C4=CN=CC=C4)/C2=O
  InChI: InChI=1S/C21H13ClN2O2/c22-17-9-4-10-18-20(17)16(12-19(25)14-6-5-11-23-13-14)21(26)24(18)15-7-2-1-3-8-15/h1-13H/b16-12+
  InChIKey: MAXLUMXHDRQNGJ-FOWTUZBSSA-N
• Cross-matching ID:
  PubChem CID: 54586674
  TTD ID: D0RX6D

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.