Details of the Drug

General Information of Drug (ID: DMQ2X6O)

• Drug Name: Fused aryl carbocycle derivative 9
• Synonyms: PMID30185082-Compound-52
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 421.6
  Logarithm of the Partition Coefficient (xlogp); 4.7
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C26H35N3O2
  IUPAC Name: benzyl N-methyl-N-[5-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
  Canonical SMILES: CCCN1CCN(CC1)C2=CC=CC3=C2CCCC3N(C)C(=O)OCC4=CC=CC=C4
  InChI: InChI=1S/C26H35N3O2/c1-3-15-28-16-18-29(19-17-28)25-14-8-11-22-23(25)12-7-13-24(22)27(2)26(30)31-20-21-9-5-4-6-10-21/h4-6,8-11,14,24H,3,7,12-13,15-20H2,1-2H3
  InChIKey: YZQOEMNLUIMOMX-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 132060412
  TTD ID: D0OZ1P

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.