Details of the Drug

General Information of Drug (ID: DM5FZBI)

• Drug Name: 6-iodo-4'-hydroxyflavone
• Synonyms: CHEMBL388844; 6-iodo-4''-hydroxyflavone; SCHEMBL10144252

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 364.13
  Logarithm of the Partition Coefficient (xlogp); 3.9
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C15H9IO3
  IUPAC Name: 2-(4-hydroxyphenyl)-6-iodochromen-4-one
  Canonical SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=CC(=C3)I)O
  InChI: InChI=1S/C15H9IO3/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-8,17H
  InChIKey: IFAJNNUYROKKPW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11703303
  TTD ID: D0X1EY

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Amyloid beta A4 protein (APP)	TTE4KHA	A4_HUMAN	Inhibitor	[1]

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
Amyloid beta A4 protein (APP)	DTT	APP	1.60E-02	-0.07	-0.31

References

• [1] Radioiodinated flavones for in vivo imaging of beta-amyloid plaques in the brain. J Med Chem. 2005 Nov 17;48(23):7253-60.