Details of the Drug

General Information of Drug (ID: DM0AZLE)

• Drug Name: WY-46016
• Synonyms: 104325-55-5; 3-(2-Quinolinylmethoxy)benzeneacetic acid; Wy-46016; WY-46,016; AC1L2TZC; 2-[3-(quinolin-2-ylmethoxy)phenyl]acetic acid; [3-(Quinolin-2-ylmethoxy)-phenyl]-acetic acid; CHEMBL310611; SCHEMBL9053241; CTK8G4858; DTXSID00146391; VTTJDSVAGYOMKY-UHFFFAOYSA-N; ZINC5162878; 3-(2-Quinolinylmethoxy)phenylacetic acid; 3-[(2-Quinolinyl)methoxy]benzeneacetic acid; Benzeneacetic acid, 3-(2-quinolinylmethoxy)-

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); 293.3
  Logarithm of the Partition Coefficient (xlogp); 3.2
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C18H15NO3
  IUPAC Name: 2-[3-(quinolin-2-ylmethoxy)phenyl]acetic acid
  Canonical SMILES: C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=CC(=C3)CC(=O)O
  InChI: InChI=1S/C18H15NO3/c20-18(21)11-13-4-3-6-16(10-13)22-12-15-9-8-14-5-1-2-7-17(14)19-15/h1-10H,11-12H2,(H,20,21)
  InChIKey: VTTJDSVAGYOMKY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 128543
  CAS Number: 104325-55-5
  TTD ID: D0R8IQ

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	Modulator	[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 CysLT1 receptor (CYSLTR1)	DTT	CYSLTR1	1.96E-02	0.24	0.43

References

• [1] N-[(arylmethoxy)phenyl] carboxylic acids, hydroxamic acids, tetrazoles, and sulfonyl carboxamides.Potent orally active leukotriene D4 antagonists of novel structure.J Med Chem.1990 Jan;33(1):240-5.