Details of the Drug

General Information of Drug (ID: DMX5K4C)

• Drug Name: 7-methoxytacrine
• Synonyms: 7-Methoxytacrine; 7-Meota; 7-methoxy-1,2,3,4-tetrahydroacridin-9-amine; TA-03; 5778-80-3; BRN 0477401; CHEMBL1256415; 1,2,3,4-Tetrahydro-7-methoxy-9-acridinamine; 9-Amino-7-methoxy-1,2,3,4-tetrahydroacridine; 9-Amino-7-methoxy-1,2,3,4-tetrahydroakridin [Czech]; Acridine, 1,2,3,4-tetrahydro-9-amino-7-methoxy-; 9-Amino-7-methoxy-1,2,3,4-tetrahydroakridin; AC1L3O4H; 9-Acridinamine, 1,2,3,4-tetrahydro-7-methoxy-; 5-22-12-00199 (Beilstein Handbook Reference); SCHEMBL195752; AC1Q582Q; CTK8D9577; MolPort-013-241-798; ZINC6018808
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 228.29
  Logarithm of the Partition Coefficient (xlogp); 2.7
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C14H16N2O
  IUPAC Name: 7-methoxy-1,2,3,4-tetrahydroacridin-9-amine
  Canonical SMILES: COC1=CC2=C(C=C1)N=C3CCCCC3=C2N
  InChI: InChI=1S/C14H16N2O/c1-17-9-6-7-13-11(8-9)14(15)10-4-2-3-5-12(10)16-13/h6-8H,2-5H2,1H3,(H2,15,16)
  InChIKey: APQPVVOYBLOJDY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 119053
  CAS Number: 5778-80-3
  TTD ID: D0S1VV

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

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 in vitro evaluation of N-alkyl-7-methoxytacrine hydrochlorides as potential cholinesterase inhibitors in Alzheimer disease. Bioorg Med Chem Lett. 2010 Oct 15;20(20):6093-5.