Details of the Drug

General Information of Drug (ID: DMPA4S0)

• Drug Name: 2-(2-Iodo-phenyl)-benzo[d][1,3]oxazin-4-one
• Synonyms: CHEMBL10378; NSC165772; AC1L6PF7; 2-(2-Iodo-phenyl)-benzo[d][1,3]oxazin-4-one; SCHEMBL913450; BDBM50063703; NSC-165772; 2-(2-iodophenyl)-3,1-benzoxazin-4-one

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); 349.12
  Logarithm of the Partition Coefficient (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C14H8INO2
  IUPAC Name: 2-(2-iodophenyl)-3,1-benzoxazin-4-one
  Canonical SMILES: C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC=CC=C3I
  InChI: InChI=1S/C14H8INO2/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(17)18-13/h1-8H
  InChIKey: VEBIXPCJYGGBAF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 296008
  TTD ID: D0J2SM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cationic trypsinogen (PRSS1)	TT2WR1T	TRY1_HUMAN	Inhibitor	[1]

References

• [1] 2-amino-4H-3,1-benzoxazin-4-ones as inhibitors of C1r serine protease. J Med Chem. 1998 Mar 26;41(7):1060-7.