Details of the Drug

General Information of Drug (ID: DMD2CX1)

• Drug Name: Piperazinyl norbenzomorphane compound 2
• Synonyms: PMID30185082-Compound-33
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 419.6
  Logarithm of the Partition Coefficient (xlogp); 4.3
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C26H33N3O2
  IUPAC Name: benzyl 5-(4-propylpiperazin-1-yl)-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene-9-carboxylate
  Canonical SMILES: CCCN1CCN(CC1)C2=CC3=C(C=C2)C4CCN(C3C4)C(=O)OCC5=CC=CC=C5
  InChI: InChI=1S/C26H33N3O2/c1-2-11-27-13-15-28(16-14-27)22-8-9-23-21-10-12-29(25(17-21)24(23)18-22)26(30)31-19-20-6-4-3-5-7-20/h3-9,18,21,25H,2,10-17,19H2,1H3
  InChIKey: FFCRKESJGXTNRJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 129056976
  TTD ID: D0U6OY

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.