Details of the Drug

General Information of Drug (ID: DMQX3V9)

• Drug Name: 5-Methoxyflavone
• Synonyms: 5-Methoxyflavone; 42079-78-7; 5-methoxy-2-phenyl-4h-chromen-4-one; 5-methoxy-2-phenylchromen-4-one; 5-Methoxy-2-phenyl-4-benzopyrone; CHEMBL16685; 4H-1-Benzopyran-4-one, 5-methoxy-2-phenyl-; 5-Methoxy-2-phenyl-chromen-4-one; MFCD00016942; ST069360; EINECS 255-652-0; 5 - Methoxyflavone; ACMC-20am2h; AC1Q6AKD; AC1L3SE9; Oprea1_859852; Oprea1_842256; BIDD:ER0473; ghl.PD_Mitscher_leg0.1155; ZINC5954; MEGxp0_001704; SCHEMBL1629391; ACon1_000175; DTXSID40194917; XRQSPUXANRGDAV-UHFFFAOYSA-N; MolPort-001-742-472; KS-000014KU; BDBM50296862

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); 252.26
  Logarithm of the Partition Coefficient (xlogp); 3.5
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C16H12O3
  IUPAC Name: 5-methoxy-2-phenylchromen-4-one
  Canonical SMILES: COC1=CC=CC2=C1C(=O)C=C(O2)C3=CC=CC=C3
  InChI: InChI=1S/C16H12O3/c1-18-13-8-5-9-14-16(13)12(17)10-15(19-14)11-6-3-2-4-7-11/h2-10H,1H3
  InChIKey: XRQSPUXANRGDAV-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 94525
  CAS Number: 42079-78-7
  TTD ID: D0V5HF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Androgen receptor messenger RNA (AR mRNA)	TTKPW01	ANDR_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
Androgen receptor messenger RNA (AR mRNA)	DTT	AR	4.81E-01	-0.23	-0.29

References

• [1] Effect of flavonoids on androgen and glucocorticoid receptors based on in vitro reporter gene assay. Bioorg Med Chem Lett. 2009 Aug 15;19(16):4706-10.