Details of the Drug

General Information of Drug (ID: DMVXYZL)

• Drug Name: 1,11-bis(pyridinium)-undecane dibromide
• Synonyms: 1,11-bis(pyridinium)-undecane dibromide; CHEMBL430886; SCHEMBL6354341; RCBQYFFDMCXGIU-UHFFFAOYSA-L; N,N'-Undecane-1,11-diyl-bis-pyridinium Dibromide; 1,11-Di(1-Pyridiniumyl)Undecane With Dibromide Ions

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight; 472.3
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 12
  Hydrogen Bond Donor Count; 0
  Hydrogen Bond Acceptor Count; 2
• Chemical Identifiers:
  Formula: C21H32Br2N2
  IUPAC Name: 1-(11-pyridin-1-ium-1-ylundecyl)pyridin-1-ium;dibromide
  Canonical SMILES: C1=CC=[N+](C=C1)CCCCCCCCCCC[N+]2=CC=CC=C2.[Br-].[Br-]
  InChI: InChI=1S/C21H32N2.2BrH/c1(2-4-6-10-16-22-18-12-8-13-19-22)3-5-7-11-17-23-20-14-9-15-21-23;;/h8-9,12-15,18-21H,1-7,10-11,16-17H2;2*1H/q+2;;/p-2
  InChIKey: RCBQYFFDMCXGIU-UHFFFAOYSA-L
• Cross-matching ID:
  PubChem CID: 11351920
  ChEBI ID: CHEMBL430886
  TTD ID: D07YJG
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Acetylcholinesterase (AChE)	TT1RS9F	ACES_HUMAN	Inhibitor	[1]
Cholinesterase (BCHE)	TTEB0GD	CHLE_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Acetylcholinesterase (AChE)	DTT	ACHE	6.39E-02	-1.07	-1.15

References

• [1] Preparation and in vitro screening of symmetrical bispyridinium cholinesterase inhibitors bearing different connecting linkage-initial study for My... Bioorg Med Chem Lett. 2010 Mar 1;20(5):1763-6.