Details of the Drug

General Information of Drug (ID: DMNA2M6)

• Drug Name: 6-hydroxy-2,9-dimethyl-9H-beta-carbolin-2-ium
• Synonyms: CHEMBL373651; 6-hydroxy-2,9-dimethyl-9H-beta-carbolin-2-ium

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); 213.25
  Logarithm of the Partition Coefficient (xlogp); 2
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C13H13N2O+
  IUPAC Name: 2,9-dimethylpyrido[3,4-b]indol-2-ium-6-ol
  Canonical SMILES: CN1C2=C(C=C(C=C2)O)C3=C1C=[N+](C=C3)C
  InChI: InChI=1S/C13H12N2O/c1-14-6-5-10-11-7-9(16)3-4-12(11)15(2)13(10)8-14/h3-8H,1-2H3/p+1
  InChIKey: OEJPDCAOADNKRJ-UHFFFAOYSA-O
• Cross-matching ID:
  PubChem CID: 44419701
  TTD ID: D0ER5C

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]

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] 6-Hydroxy- and 6-methoxy-beta-carbolines as acetyl- and butyrylcholinesterase inhibitors. Bioorg Med Chem Lett. 2006 Nov 15;16(22):5840-3.