Details of the Drug

General Information of Drug (ID: DMG9U8D)

• Drug Name: RG-7152
• Synonyms: 5-[3-[3-(2-Quinolinylmethoxy)phenoxy]propyl]-1H-tetrazole

Indication

Disease Entry	ICD 11	Status	REF
Asthma	CA23	Discontinued in Phase 1	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 361.4
  Logarithm of the Partition Coefficient (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C20H19N5O2
  IUPAC Name: 2-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]quinoline
  Canonical SMILES: C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=CC(=C3)OCCCC4=NNN=N4
  InChI: InChI=1S/C20H19N5O2/c1-2-8-19-15(5-1)10-11-16(21-19)14-27-18-7-3-6-17(13-18)26-12-4-9-20-22-24-25-23-20/h1-3,5-8,10-11,13H,4,9,12,14H2,(H,22,23,24,25)
  InChIKey: XDPLTERFGJAMRU-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 129968
  CAS Number: 107813-63-8
  TTD ID: D0B7KF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Leukotriene CysLT1 receptor (CYSLTR1)	TTGKOY9	CLTR1_HUMAN	Antagonist	[1]

Molecular Expression Atlas of This Drug

• ICD Disease Classification: 12 Disease of the respiratory system
• Disease Class: ICD-11: CA23 Asthma
• The Studied Tissue: Nasal and bronchial airway
• The Studied Disease: Asthma [ICD-11:CA23]

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Leukotriene CysLT1 receptor (CYSLTR1)	DTT	CYSLTR1	1.96E-02	0.24	0.43

References

• [1] Induction of peroxisomal enzymes by a tetrazole-substituted 2-quinolinylmethoxy leukotriene D4 antagonist. Fundam Appl Toxicol. 1994 Aug;23(2):298-303.