Details of the Drug

General Information of Drug (ID: DMYI3F5)

• Drug Name: 1-(1,3-diphenylpropylidene)thiosemicarbazide
• Synonyms: CHEMBL429858; BDBM50377591

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); 283.4
  Logarithm of the Partition Coefficient (xlogp); 3.3
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C16H17N3S
  IUPAC Name: [(Z)-1,3-diphenylpropylideneamino]thiourea
  Canonical SMILES: C1=CC=C(C=C1)CC/C(=N/NC(=S)N)/C2=CC=CC=C2
  InChI: InChI=1S/C16H17N3S/c17-16(20)19-18-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H3,17,19,20)/b18-15-
  InChIKey: AEHHXKHHRMBYLD-SDXDJHTJSA-N
• Cross-matching ID:
  PubChem CID: 44449925
  TTD ID: D0B4JS

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cathepsin L (CTSL)	TT36ETB	CATL1_HUMAN	Inhibitor	[1]

References

• [1] Discovery of trypanocidal thiosemicarbazone inhibitors of rhodesain and TbcatB. Bioorg Med Chem Lett. 2008 May 1;18(9):2883-5.