Details of the Drug

General Information of Drug (ID: DMHJ2IP)

• Drug Name: N2-{4-[(3-chlorobenzyl)oxy]benzyl}glycinamide
• Synonyms: CHEMBL156994; N2-{4-[(3-chlorobenzyl)oxy]benzyl}glycinamide; SCHEMBL962597; ZBEJIFHLSRYHPP-UHFFFAOYSA-N; BDBM50221276; ZINC53246395; 2-[4-(3-chlorobenzyloxy)benzyl]aminoacetamide; 2-[4-(3-chlorobenzyl)oxybenzyl] aminoacetamide; 2-[4-(3-Chloro-benzyloxy)-benzylamino]-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); 304.77
  Logarithm of the Partition Coefficient (xlogp); 2.3
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C16H17ClN2O2
  IUPAC Name: 2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]acetamide
  Canonical SMILES: C1=CC(=CC(=C1)Cl)COC2=CC=C(C=C2)CNCC(=O)N
  InChI: InChI=1S/C16H17ClN2O2/c17-14-3-1-2-13(8-14)11-21-15-6-4-12(5-7-15)9-19-10-16(18)20/h1-8,19H,9-11H2,(H2,18,20)
  InChIKey: ZBEJIFHLSRYHPP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11324179
  TTD ID: D0T7EJ

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] 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.