Details of the Drug

General Information of Drug (ID: DMPW1GI)

• Drug Name: N-substituted 9-azabicyclo[3.3.1]nonan-3alpha-yl-phenylcarbamate analog 2
• Synonyms: PMID28051882-Compound-8
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 403.6
  Logarithm of the Partition Coefficient (xlogp); 3.9
  Rotatable Bond Count (rotbonds); 10
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C23H37N3O3
  IUPAC Name: [9-(6-aminohexyl)-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)N3CCCCCCN
  InChI: InChI=1S/C23H37N3O3/c1-17-10-11-22(28-2)21(14-17)25-23(27)29-20-15-18-8-7-9-19(16-20)26(18)13-6-4-3-5-12-24/h10-11,14,18-20H,3-9,12-13,15-16,24H2,1-2H3,(H,25,27)
  InChIKey: LKFLCBUCBHTSTF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 24968536
  TTD ID: D0FH5K

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.