Details of the Drug

General Information of Drug (ID: DMW8V4R)

• Drug Name: PMID30185082-Compound-55
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 411.5
  Logarithm of the Partition Coefficient (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C23H26FN3O3
  IUPAC Name: 6-acetyl-3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-benzoxazol-2-one
  Canonical SMILES: CC(=O)C1=CC2=C(C=C1)N(C(=O)O2)CCCCN3CCN(CC3)C4=CC=C(C=C4)F
  InChI: InChI=1S/C23H26FN3O3/c1-17(28)18-4-9-21-22(16-18)30-23(29)27(21)11-3-2-10-25-12-14-26(15-13-25)20-7-5-19(24)6-8-20/h4-9,16H,2-3,10-15H2,1H3
  InChIKey: VGDFDVKDWFJQHD-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 24763643
  TTD ID: D0LP3P

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Sigma intracellular receptor 2 (TMEM97)	TT9NXW4	SGMR2_HUMAN	Ligand	[1]

References

• [1] The sigma-2 (-2) receptor: a review of recent patent applications: 2013-2018.Expert Opin Ther Pat. 2018 Sep;28(9):655-663.