Details of the Drug

General Information of Drug (ID: DMJ025O)

• Drug Name: N1-(4-chlorobenzyl)-2-amino-N3-hydroxymalonamide
• Synonyms: CHEMBL385996

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); 257.67
  Logarithm of the Partition Coefficient (xlogp); -0.2
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C10H12ClN3O3
  IUPAC Name: 2-amino-N-[(4-chlorophenyl)methyl]-N'-hydroxypropanediamide
  Canonical SMILES: C1=CC(=CC=C1CNC(=O)C(C(=O)NO)N)Cl
  InChI: InChI=1S/C10H12ClN3O3/c11-7-3-1-6(2-4-7)5-13-9(15)8(12)10(16)14-17/h1-4,8,17H,5,12H2,(H,13,15)(H,14,16)
  InChIKey: OGTJYIPAKYEFNR-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 16115629
  TTD ID: D0NL7J

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.