Details of the Drug

General Information of Drug (ID: DM36VKH)

Drug Name
Bis(5-acetoxybenzo[b]furan-2-yl)methanone
Synonyms CHEMBL226182; bis(5-acetoxybenzo[b]furan-2-yl)methanone
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) 378.3
Logarithm of the Partition Coefficient (xlogp) 4.2
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C21H14O7
IUPAC Name
[2-(5-acetyloxy-1-benzofuran-2-carbonyl)-1-benzofuran-5-yl] acetate
Canonical SMILES
CC(=O)OC1=CC2=C(C=C1)OC(=C2)C(=O)C3=CC4=C(O3)C=CC(=C4)OC(=O)C
InChI
InChI=1S/C21H14O7/c1-11(22)25-15-3-5-17-13(7-15)9-19(27-17)21(24)20-10-14-8-16(26-12(2)23)4-6-18(14)28-20/h3-10H,1-2H3
InChIKey
UACDZFCKAGJOFV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
13471348
TTD ID
D0L0MZ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Fms-like tyrosine kinase 3 (FLT-3) TTGJCWZ FLT3_HUMAN Inhibitor [1]
Platelet-derived growth factor receptor beta (PDGFRB) TTI7421 PGFRB_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Platelet-derived growth factor receptor beta (PDGFRB) DTT PDGFRB 5.35E-10 0.36 0.89
Fms-like tyrosine kinase 3 (FLT-3) DTT FLT3 2.11E-01 -0.05 -0.16
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Inhibition of FLT3 and PDGFR tyrosine kinase activity by bis(benzo[b]furan-2-yl)methanones. Bioorg Med Chem. 2007 Mar 1;15(5):2187-97.