Details of the Drug

General Information of Drug (ID: DMSRHJA)

• Drug Name: N1-(3-phenoxybenzyl)-N3-hydroxymalonamide
• Synonyms: CHEMBL220392

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); 300.31
  Logarithm of the Partition Coefficient (xlogp); 1.5
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C16H16N2O4
  IUPAC Name: N'-hydroxy-N-[(3-phenoxyphenyl)methyl]propanediamide
  Canonical SMILES: C1=CC=C(C=C1)OC2=CC=CC(=C2)CNC(=O)CC(=O)NO
  InChI: InChI=1S/C16H16N2O4/c19-15(10-16(20)18-21)17-11-12-5-4-8-14(9-12)22-13-6-2-1-3-7-13/h1-9,21H,10-11H2,(H,17,19)(H,18,20)
  InChIKey: AKGLDBDNAJLOMB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 16116575
  TTD ID: D0UT7Y

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Aminopeptidase N (ANPEP)	TTPHMWB	AMPN_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
Aminopeptidase N (ANPEP)	DTT	ANPEP	8.84E-07	-0.3	-0.71

References

• [1] Novel selective inhibitors of the zinc plasmodial aminopeptidase PfA-M1 as potential antimalarial agents. J Med Chem. 2007 Mar 22;50(6):1322-34.