Details of the Drug

General Information of Drug (ID: DMP9A7L)

• Drug Name: N-(1-Benzyl-2-oxo-ethyl)-benzamide
• Synonyms: CHEMBL287136; N-(1-Benzyl-2-oxo-ethyl)-benzamide; N-Benzoyl-L-phenylalaninal; benzamide, n-[(1s)-1-formyl-2-phenylethyl]-; AC1L4VU2; SCHEMBL40781; AC1Q6A59; ZINC3650451; BDBM50014566; N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide; (2S)-2-(Benzoylamino)-3-phenylpropionaldehyde; Benzamide, N-(1-formyl-2-phenylethyl)-, (S)-

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); 253.29
  Logarithm of the Partition Coefficient (xlogp); 2.7
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C16H15NO2
  IUPAC Name: N-[(2S)-1-oxo-3-phenylpropan-2-yl]benzamide
  Canonical SMILES: C1=CC=C(C=C1)C[C@@H](C=O)NC(=O)C2=CC=CC=C2
  InChI: InChI=1S/C16H15NO2/c18-12-15(11-13-7-3-1-4-8-13)17-16(19)14-9-5-2-6-10-14/h1-10,12,15H,11H2,(H,17,19)/t15-/m0/s1
  InChIKey: HIVDFHSZNYCJQH-HNNXBMFYSA-N
• Cross-matching ID:
  PubChem CID: 193218
  CAS Number: 35593-57-8
  TTD ID: D00JPH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Calpain-2 (CAPN2)	TTG5QB7	CAN2_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
Calpain-2 (CAPN2)	DTT	CAPN2	5.15E-14	0.35	1.04

References

• [1] Alpha-diketone and alpha-keto ester derivatives of N-protected amino acids and peptides as novel inhibitors of cysteine and serine proteinases. J Med Chem. 1990 Jan;33(1):11-3.