Details of the Drug

General Information of Drug (ID: DM9XC6A)

Drug Name

Bis(5-methoxybenzo[b]furan-2-yl)methanone

Synonyms

CHEMBL225772; bis(5-methoxybenzo[b]furan-2-yl)methanone

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

322.3

Logarithm of the Partition Coefficient (xlogp)

4.7

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C19H14O5
IUPAC Name: bis(5-methoxy-1-benzofuran-2-yl)methanone
Canonical SMILES: COC1=CC2=C(C=C1)OC(=C2)C(=O)C3=CC4=C(O3)C=CC(=C4)OC
InChI: InChI=1S/C19H14O5/c1-21-13-3-5-15-11(7-13)9-17(23-15)19(20)18-10-12-8-14(22-2)4-6-16(12)24-18/h3-10H,1-2H3
InChIKey: HEAUVWMQZFRPLK-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Platelet-derived growth factor receptor beta (PDGFRB)	TTI7421	PGFRB_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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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

Molecular Expression Atlas (MEA)

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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.