Details of the Drug

General Information of Drug (ID: DM0D6JN)

• Drug Name: 1,6-bis(4'-methylaminophenyl)-hexa-1,3,5-triene
• Synonyms: CHEMBL208457; ZINC13686485; BDBM50185991

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 290.4
  Logarithm of the Partition Coefficient (xlogp); 5.4
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C20H22N2
  IUPAC Name: N-methyl-4-[(1E,3E,5E)-6-[4-(methylamino)phenyl]hexa-1,3,5-trienyl]aniline
  Canonical SMILES: CNC1=CC=C(C=C1)/C=C/C=C/C=C/C2=CC=C(C=C2)NC
  InChI: InChI=1S/C20H22N2/c1-21-19-13-9-17(10-14-19)7-5-3-4-6-8-18-11-15-20(22-2)16-12-18/h3-16,21-22H,1-2H3/b4-3+,7-5+,8-6+
  InChIKey: SWZSFUMMCHKHMM-OKWWDJPNSA-N
• Cross-matching ID:
  PubChem CID: 11608986
  TTD ID: D0W0WL

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.