Details of the Drug

General Information of Drug (ID: DMS1P85)

• Drug Name: N1-(4-fluorobenzyl)-2-benzyl-N3-hydroxymalonamide
• Synonyms: CHEMBL219618; N1-(4-fluorobenzyl)-2-benzyl-N3-hydroxymalonamide; BDBM50206556

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); 316.33
  Logarithm of the Partition Coefficient (xlogp); 2.1
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C17H17FN2O3
  IUPAC Name: 2-benzyl-N-[(4-fluorophenyl)methyl]-N'-hydroxypropanediamide
  Canonical SMILES: C1=CC=C(C=C1)CC(C(=O)NCC2=CC=C(C=C2)F)C(=O)NO
  InChI: InChI=1S/C17H17FN2O3/c18-14-8-6-13(7-9-14)11-19-16(21)15(17(22)20-23)10-12-4-2-1-3-5-12/h1-9,15,23H,10-11H2,(H,19,21)(H,20,22)
  InChIKey: HPODXRZHNDBMJC-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 16114884
  TTD ID: D0K9XV

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.