Details of the Drug

General Information of Drug (ID: DM6Y2KW)

• Drug Name: 3-amino-5-(furan-2-yl)biphenyl-2,4-dicarbonitrile
• Synonyms: 3-amino-5-(furan-2-yl)biphenyl-2,4-dicarbonitrile; CHEMBL577938; SMR000054390; AC1LCDQ5; Cambridge id 5105969; MLS000104455; cid_625239; ZINC28097; SLQVQKSDEBBOSA-UHFFFAOYSA-N; MolPort-000-475-780; HMS1700M17; BDBM50303384; STK831931; AKOS000663950; MCULE-3002689151; BAS 13070166; ST001263; AB00073722-01; 3-Amino-5-furan-2-yl-biphenyl-2,4-dicarbonitrile; 2-amino-6-(2-furyl)-4-phenylbenzene-1,3-dicarbonitrile; 1,1'-Biphenyl-2,4-dicarbonitrile, 3-amino-5-(2-furyl)-; 3-Amino-5-(2-furyl)[1,1'-biphenyl]-2,4-dicarbonitrile #

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); 285.3
  Logarithm of the Partition Coefficient (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C18H11N3O
  IUPAC Name: 2-amino-4-(furan-2-yl)-6-phenylbenzene-1,3-dicarbonitrile
  Canonical SMILES: C1=CC=C(C=C1)C2=CC(=C(C(=C2C#N)N)C#N)C3=CC=CO3
  InChI: InChI=1S/C18H11N3O/c19-10-15-13(12-5-2-1-3-6-12)9-14(16(11-20)18(15)21)17-7-4-8-22-17/h1-9H,21H2
  InChIKey: SLQVQKSDEBBOSA-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 625239
  TTD ID: D04FMU

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] Quantitative analyses of aggregation, autofluorescence, and reactivity artifacts in a screen for inhibitors of a thiol protease. J Med Chem. 2010 Jan 14;53(1):37-51.