Details of the Drug

General Information of Drug (ID: DMK10WX)

• Drug Name: N1-[4-(Phenylmethoxy)phenyl]-D-glutamine
• Synonyms: Amino acid analog, 4c; CHEMBL477478; BDBM24253; (4R)-4-amino-4-{[4-(benzyloxy)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); 328.4
  Logarithm of the Partition Coefficient (xlogp); -0.7
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C18H20N2O4
  IUPAC Name: (4R)-4-amino-5-oxo-5-(4-phenylmethoxyanilino)pentanoic acid
  Canonical SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)[C@@H](CCC(=O)O)N
  InChI: InChI=1S/C18H20N2O4/c19-16(10-11-17(21)22)18(23)20-14-6-8-15(9-7-14)24-12-13-4-2-1-3-5-13/h1-9,16H,10-12,19H2,(H,20,23)(H,21,22)/t16-/m1/s1
  InChIKey: IYYBWKOXCQKLHX-MRXNPFEDSA-N
• Cross-matching ID:
  PubChem CID: 24901601
  TTD ID: D04DRM

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.