Details of the Drug

General Information of Drug (ID: DMGAR9Y)

• Drug Name: BIT225
• Synonyms: BIT-225; BIT225; 917909-71-8; SCHEMBL3109704; CHEMBL1242296; WVROWPPEIMRGAB-UHFFFAOYSA-N; ZINC43151503; 2-Naphthalenecarboxamide, N-(aminoiminomethyl)-5-(1-methyl-1H-pyrazol-4-yl)-; SB16851; 5-(1-methyl-1H-pyrazol-4-yl)-2-naphthoylguanidine

Indication

Disease Entry	ICD 11	Status	REF
Hepatitis C virus infection	1E51.1	Phase 1	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 293.32
  Logarithm of the Partition Coefficient (xlogp); 2
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C16H15N5O
  IUPAC Name: N-(diaminomethylidene)-5-(1-methylpyrazol-4-yl)naphthalene-2-carboxamide
  Canonical SMILES: CN1C=C(C=N1)C2=CC=CC3=C2C=CC(=C3)C(=O)N=C(N)N
  InChI: InChI=1S/C16H15N5O/c1-21-9-12(8-19-21)13-4-2-3-10-7-11(5-6-14(10)13)15(22)20-16(17)18/h2-9H,1H3,(H4,17,18,20,22)
  InChIKey: WVROWPPEIMRGAB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 12004418
  CAS Number: 917909-71-8
  TTD ID: D0W6LW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Human immunodeficiency virus Protease (HIV PR)	TT5FNQT	POL_HV1B1	Inhibitor	[1]

References

• [1] 2011 Pipeline of Biotron.