Details of the Drug

General Information of Drug (ID: DMEU3MN)

• Drug Name: 1,6-Bis(4'-hydroxyphenyl)-hexa-1,3,5-triene
• Synonyms: CHEMBL381731; ZINC13686478; BDBM50185986; 4,4'-(1,3,5-Hexatriene-1,6-diyl)bisphenol

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); 264.3
  Logarithm of the Partition Coefficient (xlogp); 4.8
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C18H16O2
  IUPAC Name: 4-[(1E,3E,5E)-6-(4-hydroxyphenyl)hexa-1,3,5-trienyl]phenol
  Canonical SMILES: C1=CC(=CC=C1/C=C/C=C/C=C/C2=CC=C(C=C2)O)O
  InChI: InChI=1S/C18H16O2/c19-17-11-7-15(8-12-17)5-3-1-2-4-6-16-9-13-18(20)14-10-16/h1-14,19-20H/b2-1+,5-3+,6-4+
  InChIKey: FXGYAFMJWIVHGO-CRQXNEITSA-N
• Cross-matching ID:
  PubChem CID: 11587026
  TTD ID: D03TOK

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] Synthesis of biphenyltrienes as probes for beta-amyloid plaques. J Med Chem. 2006 May 4;49(9):2841-4.