Details of the Drug

General Information of Drug (ID: DMLFY2T)

• Drug Name: 5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole
• Synonyms: 5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole; 3fuj; DB06828; 5-[2-(pyrrol-1-yl)ethoxy]-1H-indole

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); 226.27
  Logarithm of the Partition Coefficient (xlogp); 2.4
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C14H14N2O
  IUPAC Name: 5-(2-pyrrol-1-ylethoxy)-1H-indole
  Canonical SMILES: C1=CN(C=C1)CCOC2=CC3=C(C=C2)NC=C3
  InChI: InChI=1S/C14H14N2O/c1-2-8-16(7-1)9-10-17-13-3-4-14-12(11-13)5-6-15-14/h1-8,11,15H,9-10H2
  InChIKey: NSZDJRLPCLOQAM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44129621
  DrugBank ID: DB06828
  TTD ID: D00YCG

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] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.