Details of the Drug

General Information of Drug (ID: DM70MPJ)

• Drug Name: 9-Ethyl-2-methyl-beta-carboline-2-ium iodide
• Synonyms: CHEMBL1097826

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 211.28
  Logarithm of the Partition Coefficient (xlogp); 2.7
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 0
• Chemical Identifiers:
  Formula: C14H15N2+
  IUPAC Name: 9-ethyl-2-methylpyrido[3,4-b]indol-2-ium
  Canonical SMILES: CCN1C2=CC=CC=C2C3=C1C=[N+](C=C3)C
  InChI: InChI=1S/C14H15N2/c1-3-16-13-7-5-4-6-11(13)12-8-9-15(2)10-14(12)16/h4-10H,3H2,1-2H3/q+1
  InChIKey: UYPDJRFFVNWZQV-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 46223109
  TTD ID: D0W8NK

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] Bivalent beta-carbolines as potential multitarget anti-Alzheimer agents. J Med Chem. 2010 May 13;53(9):3611-7.