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
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL349763
TTD ID
D0P0OH
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Benzoxazinone derivatives for treatment of skin diseases. US9695194.