Details of the Drug

General Information of Drug (ID: DM12QO7)

• Drug Name: PMID25435285-Compound-10
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 476.4
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 12
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C22H28Cl2FNO5
  IUPAC Name: (1R,2R,3R,5R,6R)-2-amino-3-[(3,4-dichlorophenyl)methoxy]-6-fluoro-6-heptoxycarbonylbicyclo[3.1.0]hexane-2-carboxylic acid
  Canonical SMILES: CCCCCCCOC(=O)[C@]1([C@H]2[C@@H]1[C@@]([C@@H](C2)OCC3=CC(=C(C=C3)Cl)Cl)(C(=O)O)N)F
  InChI: InChI=1S/C22H28Cl2FNO5/c1-2-3-4-5-6-9-30-20(29)21(25)14-11-17(22(26,18(14)21)19(27)28)31-12-13-7-8-15(23)16(24)10-13/h7-8,10,14,17-18H,2-6,9,11-12,26H2,1H3,(H,27,28)/t14-,17-,18+,21-,22+/m1/s1
  InChIKey: SVZJNGHWEHDHLT-OUSKECTQSA-N
• Cross-matching ID:
  PubChem CID: 11641449
  TTD ID: D0P7DA

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.