Details of the Drug

General Information of Drug (ID: DMG1ATX)

• Drug Name: [(1e)-4-Phenylbut-1-Enyl]Benzene
• Synonyms: [(1E)-4-PHENYLBUT-1-ENYL]BENZENE; 1,4-DIPHENYL-1-BUTENE; 14213-84-4; AC1NR9PT; (E)-1,4-Diphenyl-1-butene; [(E)-4-phenylbut-1-enyl]benzene; ZINC14880527; [(1E)-4-phenyl-1-butenyl]benzene; [(E)-4-phenyl-but-1-enyl]-benzene; 1,1'-(1E)-but-1-ene-1,4-diyldibenzene

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); 208.3
  Logarithm of the Partition Coefficient (xlogp); 4.8
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 0
• Chemical Identifiers:
  Formula: C16H16
  IUPAC Name: [(E)-4-phenylbut-1-enyl]benzene
  Canonical SMILES: C1=CC=C(C=C1)CC/C=C/C2=CC=CC=C2
  InChI: InChI=1S/C16H16/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-7,9-13H,8,14H2/b13-7+
  InChIKey: NJJOGKAVAWZLAU-NTUHNPAUSA-N
• Cross-matching ID:
  PubChem CID: 5287453
  TTD ID: D0G2LF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Monoamine oxidase type B (MAO-B)	TTGP7BY	AOFB_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
Monoamine oxidase type B (MAO-B)	DTT	MAOB	2.65E-02	1.12E-02	0.07

References

• [1] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.