General Information of the Compound
Compound ID
CP0061477
Compound Name
7-methoxytacrine
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Synonyms
1,2,3,4-Tetrahydro-7-methoxy-9-acridinamine
5-22-12-00199 (Beilstein Handbook Reference)
5778-80-3
7-Meota
7-Methoxytacrine
7-methoxy-1,2,3,4-tetrahydroacridin-9-amine
7-methoxytacrine
9-Acridinamine, 1,2,3,4-tetrahydro-7-methoxy-
9-Amino-7-methoxy-1,2,3,4-tetrahydroacridine
9-Amino-7-methoxy-1,2,3,4-tetrahydroakridin
9-Amino-7-methoxy-1,2,3,4-tetrahydroakridin [Czech]
AC1L3O4H
AC1Q582Q
Acridine, 1,2,3,4-tetrahydro-9-amino-7-methoxy-
BRN 0477401
CHEMBL1256415
CTK8D9577
MolPort-013-241-798
SCHEMBL195752
TA-03
ZINC6018808
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Structure
Formula
C14H16N2O
Molecular Weight
228.295
Canonical SMILES
COc1ccc2nc3CCCCc3c(N)c2c1
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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)
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InChIKey
APQPVVOYBLOJDY-UHFFFAOYSA-N
CAS
5778-80-3
Physicochemical Property
logP
2.7044
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
48.14
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
17

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 119053
SID: 12014024
ChEMBL ID
CHEMBL1256415
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01310, Muscarinic acetylcholine receptor M1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 3710 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 44370 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 7-methoxytacrine )
Drug Name 7-methoxytacrine
Target(s)
Acetylcholinesterase (AChE)
 Target Info 
Inhibitor