Details of the Drug

General Information of Drug (ID: DMZYJKG)

• Drug Name: Piperazinyl norbenzomorphane compound 3
• Synonyms: PMID30185082-Compound-34
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 391.5
  Logarithm of the Partition Coefficient (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C24H29N3O2
  IUPAC Name: benzyl 5-(4-methylpiperazin-1-yl)-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene-9-carboxylate
  Canonical SMILES: CN1CCN(CC1)C2=CC3=C(C=C2)C4CCN(C3C4)C(=O)OCC5=CC=CC=C5
  InChI: InChI=1S/C24H29N3O2/c1-25-11-13-26(14-12-25)20-7-8-21-19-9-10-27(23(15-19)22(21)16-20)24(28)29-17-18-5-3-2-4-6-18/h2-8,16,19,23H,9-15,17H2,1H3
  InChIKey: CQQWIHMDQBNBBE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44825925
  CAS Number: 1644629-60-6
  TTD ID: D0VC0P

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.