Details of the Drug

General Information of Drug (ID: DM97H52)

• Drug Name: N5-[4-(2-Oxo-3-phenylpropoxy)phenyl]-L-glutamine
• Synonyms: CHEMBL518118; Modified amino acid analog, 8k; BDBM24276; (2S)-2-amino-4-{[4-(2-oxo-2-phenylethoxy)phenyl]carbamoyl}butanoic acid

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); 356.4
  Logarithm of the Partition Coefficient (xlogp); -0.8
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C19H20N2O5
  IUPAC Name: (2S)-2-amino-5-oxo-5-(4-phenacyloxyanilino)pentanoic acid
  Canonical SMILES: C1=CC=C(C=C1)C(=O)COC2=CC=C(C=C2)NC(=O)CC[C@@H](C(=O)O)N
  InChI: InChI=1S/C19H20N2O5/c20-16(19(24)25)10-11-18(23)21-14-6-8-15(9-7-14)26-12-17(22)13-4-2-1-3-5-13/h1-9,16H,10-12,20H2,(H,21,23)(H,24,25)/t16-/m0/s1
  InChIKey: JXSYVANIFASLIX-INIZCTEOSA-N
• Cross-matching ID:
  PubChem CID: 24901621
  TTD ID: D0DI4I

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Leukotriene A-4 hydrolase (LTA4H)	TTXZEAJ	LKHA4_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
Leukotriene A-4 hydrolase (LTA4H)	DTT	LTA4H	1.31E-48	-1.22	-2.21

References

• [1] Synthesis of glutamic acid analogs as potent inhibitors of leukotriene A4 hydrolase. Bioorg Med Chem. 2008 May 1;16(9):4963-83.