Details of the Drug

General Information of Drug (ID: DM9GJAY)

• Drug Name: 6-iodo-4'-methylaminoflavone
• Synonyms: 6-iodo-4'-methylaminoflavone; 871101-30-3; CHEMBL224643; 6-iodo-2-(4-methylaminophenyl)-chromen-4-one; SCHEMBL4991516; 6-iodo-4''-methylaminoflavone; DTXSID20469771; QIZWRTNISFPGTO-UHFFFAOYSA-N; ZINC13675690; BDBM50176896; KB-248886

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); 377.18
  Logarithm of the Partition Coefficient (xlogp); 4.2
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C16H12INO2
  IUPAC Name: 6-iodo-2-[4-(methylamino)phenyl]chromen-4-one
  Canonical SMILES: CNC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)I
  InChI: InChI=1S/C16H12INO2/c1-18-12-5-2-10(3-6-12)16-9-14(19)13-8-11(17)4-7-15(13)20-16/h2-9,18H,1H3
  InChIKey: QIZWRTNISFPGTO-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11632242
  CAS Number: 871101-30-3
  TTD ID: D08GKL

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.