Details of the Drug

General Information of Drug (ID: DMM59IS)

• Drug Name: N1,2-dibenzyl-N3-hydroxymalonamide
• Synonyms: CHEMBL113827; N1,2-dibenzyl-N3-hydroxymalonamide; 2N-dibenzyl-N''-hydroxy-malonamide; BDBM50062474

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); 298.34
  Logarithm of the Partition Coefficient (xlogp); 2
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C17H18N2O3
  IUPAC Name: N,2-dibenzyl-N'-hydroxypropanediamide
  Canonical SMILES: C1=CC=C(C=C1)CC(C(=O)NCC2=CC=CC=C2)C(=O)NO
  InChI: InChI=1S/C17H18N2O3/c20-16(18-12-14-9-5-2-6-10-14)15(17(21)19-22)11-13-7-3-1-4-8-13/h1-10,15,22H,11-12H2,(H,18,20)(H,19,21)
  InChIKey: WKIMWNKNDQXNCK-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10709191
  TTD ID: D0Z2JN

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.