Details of the Drug

General Information of Drug (ID: DMF5MGQ)

• Drug Name: 2-benzyl-N1-hydroxy-N3-(3-phenylpropyl)malonamide
• Synonyms: CHEMBL331784; 2-benzyl-N1-hydroxy-N3-(3-phenylpropyl)malonamide; SCHEMBL7357043; BDBM50062453

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); 326.4
  Logarithm of the Partition Coefficient (xlogp); 2.8
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C19H22N2O3
  IUPAC Name: 2-benzyl-N-hydroxy-N'-(3-phenylpropyl)propanediamide
  Canonical SMILES: C1=CC=C(C=C1)CCCNC(=O)C(CC2=CC=CC=C2)C(=O)NO
  InChI: InChI=1S/C19H22N2O3/c22-18(20-13-7-12-15-8-3-1-4-9-15)17(19(23)21-24)14-16-10-5-2-6-11-16/h1-6,8-11,17,24H,7,12-14H2,(H,20,22)(H,21,23)
  InChIKey: CQGGQNFRJIAPHA-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10592233
  TTD ID: D0YA8C

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.