Details of the Drug

General Information of Drug (ID: DMFWYKE)

• Drug Name: AC1LCOK0
• Synonyms: CHEMBL349763; 2-(2-Iodo-phenyl)-6,7-dimethoxy-benzo[d][1,3]oxazin-4-one; 2-(2-Iodophenyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one; BAS 00763013; AC1LCOK0; Oprea1_230794; Oprea1_104130; SCHEMBL913416; HKRJBRGRGFMQJI-UHFFFAOYSA-N; ZINC832897; STK295881; BDBM50289001; AKOS000642901; MCULE-9727934711; ST50239885; AB00095356-01; SR-01000441631; SR-01000441631-1; 2-(2-iodophenyl)-6,7-dimethoxy-3,1-benzoxazin-4-one; 2-(2-iodophenyl)-6,7-dimethoxybenzo[d]1,3-oxazin-4-one; 2-(2-Iodophenyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one #
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 409.17
  Logarithm of the Partition Coefficient (xlogp); 3.5
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C16H12INO4
  IUPAC Name: 2-(2-iodophenyl)-6,7-dimethoxy-3,1-benzoxazin-4-one
  Canonical SMILES: COC1=C(C=C2C(=C1)C(=O)OC(=N2)C3=CC=CC=C3I)OC
  InChI: InChI=1S/C16H12INO4/c1-20-13-7-10-12(8-14(13)21-2)18-15(22-16(10)19)9-5-3-4-6-11(9)17/h3-8H,1-2H3
  InChIKey: HKRJBRGRGFMQJI-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 634264
  TTD ID: D0P0OH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Chymotrypsin-C (CLCR)	TT3RMNA	CTRC_HUMAN	Inhibitor	[1]

References

• [1] Benzoxazinone derivatives for treatment of skin diseases. US9695194.