Details of the Drug

General Information of Drug (ID: DMG2ES1)

• Drug Name: PMID25435285-Compound-39
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 481.8
  Logarithm of the Partition Coefficient (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 11
• Chemical Identifiers:
  Formula: C19H11ClF3N5O3S
  IUPAC Name: 3-[3-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide
  Canonical SMILES: C1=CC(=CC(=C1)S(=O)(=O)N)C2=NC(=NO2)C3=NC(=CC(=N3)C(F)(F)F)C4=CC=C(C=C4)Cl
  InChI: InChI=1S/C19H11ClF3N5O3S/c20-12-6-4-10(5-7-12)14-9-15(19(21,22)23)26-16(25-14)17-27-18(31-28-17)11-2-1-3-13(8-11)32(24,29)30/h1-9H,(H2,24,29,30)
  InChIKey: BODKDPJDJKXVIU-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 57468846
  TTD ID: D0RX0M

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Metabotropic glutamate receptor 2 (mGluR2)	TTXJ47W	GRM2_HUMAN	Antagonist	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Metabotropic glutamate receptor 2 (mGluR2)	DTT	GRM2	1.09E-01	-0.11	-0.2
Metabotropic glutamate receptor 2 (mGluR2)	DTT	GRM2	3.19E-01	-0.06	-0.34

References

• [1] Novel metabotropic glutamate receptor 2/3 antagonists and their therapeutic applications: a patent review (2005 - present).Expert Opin Ther Pat. 2015 Jan;25(1):69-90.