Details of the Drug

General Information of Drug (ID: DMSU80N)

• Drug Name: N-substituted 9-azabicyclo[3.3.1]nonan-3alpha-yl-phenylcarbamate analog 1
• Synonyms: PMID28051882-Compound-10
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 386.3
  Logarithm of the Partition Coefficient (xlogp); 4.7
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C21H24BrNO
  IUPAC Name: (1R)-1-(3-bromophenyl)-2-(3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)ethanol
  Canonical SMILES: C1CC2CC(CC1N2C[C@@H](C3=CC(=CC=C3)Br)O)C4=CC=CC=C4
  InChI: InChI=1S/C21H24BrNO/c22-18-8-4-7-16(11-18)21(24)14-23-19-9-10-20(23)13-17(12-19)15-5-2-1-3-6-15/h1-8,11,17,19-21,24H,9-10,12-14H2/t17?,19?,20?,21-/m0/s1
  InChIKey: OPZPEBWJFYVOEI-SLQSYFLNSA-N
• Cross-matching ID:
  PubChem CID: 24968537
  TTD ID: D0V4KJ

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.