Details of the Drug

General Information of Drug (ID: DMFVSBK)

Drug Name
1-Methoxy-3-(oxiran-2-ylmethoxy)-9H-xanthen-9-one
Synonyms 1-Methoxy-3-(oxiran-2-ylmethoxy)-9H-xanthen-9-one; CHEMBL1242450; SCHEMBL11029477
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 298.29
Logarithm of the Partition Coefficient (xlogp) 2.6
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C17H14O5
IUPAC Name
1-methoxy-3-(oxiran-2-ylmethoxy)xanthen-9-one
Canonical SMILES
COC1=CC(=CC2=C1C(=O)C3=CC=CC=C3O2)OCC4CO4
InChI
InChI=1S/C17H14O5/c1-19-14-6-10(20-8-11-9-21-11)7-15-16(14)17(18)12-4-2-3-5-13(12)22-15/h2-7,11H,8-9H2,1H3
InChIKey
DTYOZZZAYPACPN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
46932895
TTD ID
D0DS0O

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
DNA topoisomerase II (TOP2) TT0IHXV TOP2A_HUMAN ; TOP2B_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Synthesis and pharmacological evaluation of new methyloxiranylmethoxyxanthone analogues. Eur J Med Chem. 2010 Sep;45(9):4221-8.