Details of the Drug

General Information of Drug (ID: DMNHZFG)

• Drug Name: 9-Amino-1,2,3,4-tetrahydro-acridine-1,7-diol
• Synonyms: CHEMBL354601; 1,7-Dihydroxytacrine; 9-Amino-1,2,3,4-tetrahydro-acridine-1,7-diol; SCHEMBL10846147

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); 230.26
  Logarithm of the Partition Coefficient (xlogp); 1.1
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C13H14N2O2
  IUPAC Name: 9-amino-1,2,3,4-tetrahydroacridine-1,7-diol
  Canonical SMILES: C1CC(C2=C(C3=C(C=CC(=C3)O)N=C2C1)N)O
  InChI: InChI=1S/C13H14N2O2/c14-13-8-6-7(16)4-5-9(8)15-10-2-1-3-11(17)12(10)13/h4-6,11,16-17H,1-3H2,(H2,14,15)
  InChIKey: RIGISKTXVJDQAZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 15043995
  TTD ID: D0V0PS

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] Synthesis and biological activity of putative mono-hydroxylated metabolites of velnacrine, Bioorg. Med. Chem. Lett. 2(8):865-870 (1992).