Details of the Drug

General Information of Drug (ID: DMJT4UR)

• Drug Name: N5-[4-(1H-pyrrol-1-yl)phenyl]-L-glutamamide
• Synonyms: CHEMBL478549; Modified amino acid analog, 8b; BDBM24267

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); 286.33
  Logarithm of the Partition Coefficient (xlogp); -0.2
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C15H18N4O2
  IUPAC Name: (2S)-2-amino-N'-(4-pyrrol-1-ylphenyl)pentanediamide
  Canonical SMILES: C1=CN(C=C1)C2=CC=C(C=C2)NC(=O)CC[C@@H](C(=O)N)N
  InChI: InChI=1S/C15H18N4O2/c16-13(15(17)21)7-8-14(20)18-11-3-5-12(6-4-11)19-9-1-2-10-19/h1-6,9-10,13H,7-8,16H2,(H2,17,21)(H,18,20)/t13-/m0/s1
  InChIKey: XUUJHPOHRREVET-ZDUSSCGKSA-N
• Cross-matching ID:
  PubChem CID: 24901612
  TTD ID: D08WZB

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.