Details of the Drug

General Information of Drug (ID: DMZF9TM)

• Drug Name: N-substituted 9-azabicyclo[3.3.1]nonan-3alpha-yl-phenylcarbamate analog 3
• Synonyms: PMID28051882-Compound-9
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 437.6
  Logarithm of the Partition Coefficient (xlogp); 5
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C26H35N3O3
  IUPAC Name: [9-[[4-(dimethylamino)phenyl]methyl]-9-azabicyclo[3.3.1]nonan-3-yl] N-(2-methoxy-5-methylphenyl)carbamate
  Canonical SMILES: CC1=CC(=C(C=C1)OC)NC(=O)OC2CC3CCCC(C2)N3CC4=CC=C(C=C4)N(C)C
  InChI: InChI=1S/C26H35N3O3/c1-18-8-13-25(31-4)24(14-18)27-26(30)32-23-15-21-6-5-7-22(16-23)29(21)17-19-9-11-20(12-10-19)28(2)3/h8-14,21-23H,5-7,15-17H2,1-4H3,(H,27,30)
  InChIKey: LLKXKYKXJPUWCM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 24968535
  TTD ID: D0N6JH

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] Are sigma modulators an effective opportunity for cancer treatment A patent overview (1996-2016).Expert Opin Ther Pat. 2017 May;27(5):565-578.