Details of the Drug

General Information of Drug (ID: DM6KPYL)

Drug Name
STK296197
Synonyms 2-(2,4-dimethoxyphenyl)-6,7-dimethoxy-4H-3,1-benzoxazin-4-one; SCHEMBL18352860; BDBM113301; ZINC8906265; STK296197; AKOS003369098; MCULE-2502072969; 847572-11-6; US9695194, 17; Z223457118
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 343.3
Logarithm of the Partition Coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C18H17NO6
IUPAC Name
2-(2,4-dimethoxyphenyl)-6,7-dimethoxy-3,1-benzoxazin-4-one
Canonical SMILES
COC1=CC(=C(C=C1)C2=NC3=CC(=C(C=C3C(=O)O2)OC)OC)OC
InChI
InChI=1S/C18H17NO6/c1-21-10-5-6-11(14(7-10)22-2)17-19-13-9-16(24-4)15(23-3)8-12(13)18(20)25-17/h5-9H,1-4H3
InChIKey
JCFSQIOFMQLSPV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
17018602
ChEBI ID
CHEMBL5957189
TTD ID
D01IXT
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.