Details of the Drug

General Information of Drug (ID: DMXFYN8)

• Drug Name: 2-(2-methoxyphenyl)-1H-indene
• Synonyms: CHEMBL376583; 2-(2-methoxyphenyl)-1H-indene; 2-(o-Methoxyphenyl)-1H-indene; SCHEMBL16621596

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); 222.28
  Logarithm of the Partition Coefficient (xlogp); 3.9
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C16H14O
  IUPAC Name: 2-(2-methoxyphenyl)-1H-indene
  Canonical SMILES: COC1=CC=CC=C1C2=CC3=CC=CC=C3C2
  InChI: InChI=1S/C16H14O/c1-17-16-9-5-4-8-15(16)14-10-12-6-2-3-7-13(12)11-14/h2-10H,11H2,1H3
  InChIKey: APOFCYAJMPJCJI-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44424412
  TTD ID: D0N7OP

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Prostaglandin G/H synthase 1 (COX-1)	TT8NGED	PGH1_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
Prostaglandin G/H synthase 1 (COX-1)	DTT	PTGS1	3.97E-03	0.16	0.43

References

• [1] 'Bridged' stilbene derivatives as selective cyclooxygenase-1 inhibitors. Bioorg Med Chem. 2007 Sep 15;15(18):6109-18.