Details of the Drug

General Information of Drug (ID: DMIH7W1)

• Drug Name: 5-Chloro-1-(4-chloro-benzyl)-1H-indole-2,3-dione
• Synonyms: 5-chloro-1-(4-chlorobenzyl)-1H-indole-2,3-dione; CHEMBL333067; 87423-59-4; AC1M2SUT; Cambridge id 7142603; 5-Chloro-1-(4-chloro-benzyl)-1H-indole-2,3-dione; SCHEMBL11186018; KS-00001SNW; MolPort-000-407-830; ZINC2813807; BDBM50133622; STK394570; BBL005671; AKOS001662460; MCULE-8294112694; 12F-374S; H3079; ST50867327; 5-chloro-1-[(4-chlorophenyl)methyl]indole-2,3-dione; 5-chloro-1-[(4-chlorophenyl)methyl]benzo[d]azoline-2,3-dione; 1-(4-Chlorobenzyl)-5-chloro-2,3-dihydro-1H-indole-2,3-dione

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 306.1
  Logarithm of the Partition Coefficient (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C15H9Cl2NO2
  IUPAC Name: 5-chloro-1-[(4-chlorophenyl)methyl]indole-2,3-dione
  Canonical SMILES: C1=CC(=CC=C1CN2C3=C(C=C(C=C3)Cl)C(=O)C2=O)Cl
  InChI: InChI=1S/C15H9Cl2NO2/c16-10-3-1-9(2-4-10)8-18-13-6-5-11(17)7-12(13)14(19)15(18)20/h1-7H,8H2
  InChIKey: NWUYWKYKVCEBTP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 2175573
  TTD ID: D0O5TA

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Trypanosoma Cruzipain (Trypano CYSP)	TTEAID7	CYSP_TRYCR	Inhibitor	[1]

References

• [1] Synthesis and evaluation of isatins and thiosemicarbazone derivatives against cruzain, falcipain-2 and rhodesain. Bioorg Med Chem Lett. 2003 Oct 20;13(20):3527-30.