Details of the Drug

General Information of Drug (ID: DMOZ1IY)

• Drug Name: N2-[4-(benzyloxy)benzyl]glycinamide
• Synonyms: 2-({[4-(benzyloxy)phenyl]methyl}amino)acetamide; CHEMBL348597; EN300-53966; 774506-05-7; N2-[4-(benzyloxy)benzyl]glycinamide; AC1Q4ZPD; SCHEMBL7391510; CTK7D3324; MolPort-004-292-381; ZINC21956233; BDBM50221278; AKOS000127788; MCULE-6620856689; NE46952; BBV-007676; 2-(4-Benzyloxy-benzylamino)-acetamide; 2-[[4-(Benzyloxy)benzyl]amino]acetamide

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); 270.33
  Logarithm of the Partition Coefficient (xlogp); 1.6
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C16H18N2O2
  IUPAC Name: 2-[(4-phenylmethoxyphenyl)methylamino]acetamide
  Canonical SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)CNCC(=O)N
  InChI: InChI=1S/C16H18N2O2/c17-16(19)11-18-10-13-6-8-15(9-7-13)20-12-14-4-2-1-3-5-14/h1-9,18H,10-12H2,(H2,17,19)
  InChIKey: QPCKNQVICWJWJF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10588118
  TTD ID: D0T6XC

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Monoamine oxidase type A (MAO-A)	TT3WG5C	AOFA_HUMAN	Inhibitor	[1]
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
Monoamine oxidase type A (MAO-A)	DTT	MAOA	8.14E-01	0.05	0.1

References

• [1] Solid-phase synthesis and insights into structure-activity relationships of safinamide analogues as potent and selective inhibitors of type B monoa... J Med Chem. 2007 Oct 4;50(20):4909-16.