Details of the Drug

General Information of Drug (ID: DMT09YC)

Drug Name

6,7'-oxybis(2-phenyl-4H-chromen-4-one)

Synonyms

CHEMBL466800; BDBM50254285

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): 1

Molecular Weight (mw)

458.5

Logarithm of the Partition Coefficient (xlogp)

6.8

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C30H18O5
IUPAC Name: 7-(4-oxo-2-phenylchromen-6-yl)oxy-2-phenylchromen-4-one
Canonical SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)OC4=CC5=C(C=C4)C(=O)C=C(O5)C6=CC=CC=C6
InChI: InChI=1S/C30H18O5/c31-25-17-29(20-9-5-2-6-10-20)35-30-16-22(11-13-23(25)30)33-21-12-14-27-24(15-21)26(32)18-28(34-27)19-7-3-1-4-8-19/h1-18H
InChIKey: IGRXBHDMCKHQQC-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Prostaglandin G/H synthase 2 (COX-2)	TTVKILB	PGH2_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
Prostaglandin G/H synthase 2 (COX-2)	DTT	PTGS2	7.93E-04	-0.29	-0.34

Molecular Expression Atlas (MEA)

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References

1	Synthesis of biflavones having a 6-O-7'' linkage and effects on cyclooxygenase-2 and inducible nitric oxide synthase. Bioorg Med Chem Lett. 2009 Jan 1;19(1):74-6.