Details of the Drug

General Information of Drug (ID: DMDOCTB)

• Drug Name: Benzamide derivative 1
• Synonyms: PMID28051882-Compound-18
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 503.4
  Logarithm of the Partition Coefficient (xlogp); 4.1
  Rotatable Bond Count (rotbonds); 10
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C24H31BrN2O5
  IUPAC Name: 5-(76Br)bromanyl-N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2,3-dimethoxybenzamide
  Canonical SMILES: COC1=CC(=CC(=C1OC)C(=O)NCCCCN2CCC3=CC(=C(C=C3C2)OC)OC)[76Br]
  InChI: InChI=1S/C24H31BrN2O5/c1-29-20-11-16-7-10-27(15-17(16)12-21(20)30-2)9-6-5-8-26-24(28)19-13-18(25)14-22(31-3)23(19)32-4/h11-14H,5-10,15H2,1-4H3,(H,26,28)/i25-4
  InChIKey: UNYNHWPKQAKANT-VEFBWTBNSA-N
• Cross-matching ID:
  PubChem CID: 9543532
  TTD ID: D0M4BI

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.