General Information of the Compound
Compound ID
CP0049496
Compound Name
6-chloro-1,2,3,4-tetrahydroacridin-9-amine
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Synonyms
5778-84-7
6-Chlorotacrine HCl
6-chloro-1,2,3,4-tetrahydroacridin-9-amine
6-chlorotacrine
6-chlorotacrine hydrochloride
6-chlorotacrine.HCl
9-AMINO-6-CHLORO-1,2,3,4-TETRAHYDRO-ACRIDINE
BDBM8987
CHEMBL292314
GQZMDBQRGRRPMS-UHFFFAOYSA-N
SCHEMBL4271238
Tacrine Analogue 4
ZINC5689
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Structure
Formula
C13H13ClN2
Molecular Weight
232.714
Canonical SMILES
Nc1c2CCCCc2nc2cc(Cl)ccc12
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InChI
InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16)
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InChIKey
GQZMDBQRGRRPMS-UHFFFAOYSA-N
Physicochemical Property
logP
3.3492
Rotatable Bonds
0
Heavy Atom Count
16
Polar Areas
38.91
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
16

"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: 10399068
SID: 15415502
ChEMBL ID
CHEMBL292314
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: PT00820, Acetylcholinesterase
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 14.5 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1.8 nM
2 IC50 = 1.82 nM
3 IC50 = 5.9 nM
4 IC50 = 7.18 nM
5 IC50 = 9 nM
6 IC50 = 9.9 nM
7 IC50 = 10 nM
8 IC50 = 13.2 nM
9 IC50 = 13.6 nM
10 IC50 = 14.5 nM
11 IC50 = 17.6 nM
12 IC50 = 20 nM
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 = 6090 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 = 43200 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 6-chlorotacrine hydrochloride )
Drug Name 6-chlorotacrine hydrochloride
Target(s)
Cholinesterase (BCHE)
 Target Info 
Inhibitor
Acetylcholinesterase (AChE)
 Target Info 
Inhibitor