Details of the Drug

General Information of Drug (ID: DM7TBUJ)

• Drug Name: 2-(4-phenoxyphenoxy)ethanamine
• Synonyms: 2-(4-phenoxyphenoxy)ethanamine; CHEMBL472386; 2-(4-Phenoxyphenoxy)Ethylamine; 72490-14-3; SCHEMBL9486899; SCHEMBL4653229; CTK2H2396; DTXSID40452640; FBLANPWAVFBRNS-UHFFFAOYSA-N; 2-[(p-phenoxy)phenoxy]ethylamine; Ethanamine, 2-(4-phenoxyphenoxy)-; ZINC11945831; BDBM50246062

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); 229.27
  Logarithm of the Partition Coefficient (xlogp); 2.7
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C14H15NO2
  IUPAC Name: 2-(4-phenoxyphenoxy)ethanamine
  Canonical SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)OCCN
  InChI: InChI=1S/C14H15NO2/c15-10-11-16-12-6-8-14(9-7-12)17-13-4-2-1-3-5-13/h1-9H,10-11,15H2
  InChIKey: FBLANPWAVFBRNS-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11031651
  CAS Number: 72490-14-3
  TTD ID: D02AYI

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Group IIA phospholipase A2 (GIIA sPLA2)	TTO8QRU	PA2GA_HUMAN	Inhibitor	[1]
Leukotriene A-4 hydrolase (LTA4H)	TTXZEAJ	LKHA4_HUMAN	Inhibitor	[2]

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
Leukotriene A-4 hydrolase (LTA4H)	DTT	LTA4H	1.31E-48	-1.22	-2.21

References

• [1] Discovery of multitarget inhibitors by combining molecular docking with common pharmacophore matching. J Med Chem. 2008 Dec 25;51(24):7882-8.
• [2] Activation and inhibition of leukotriene A4 hydrolase aminopeptidase activity by diphenyl ether and derivatives. Bioorg Med Chem Lett. 2008 Dec 15;18(24):6549-52.