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
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL1256415
CAS Number
5778-80-3
TTD ID
D0S1VV
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE 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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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.