General Information of the Compound
Compound ID
CP0020189
Compound Name
6-acetoxy-8-azonia-bicyclo[3.2.1]octane
    Show/Hide
Synonyms
Acetic acid 8-aza-bicyclo[3.2.1]oct-6-yl ester
BDBM50064609
CHEMBL64000
    Show/Hide
Structure
Formula
C9H15NO2
Molecular Weight
169.224
Canonical SMILES
CC(=O)OC1CC2CCCC1N2
    Show/Hide
InChI
InChI=1S/C9H15NO2/c1-6(11)12-9-5-7-3-2-4-8(9)10-7/h7-10H,2-5H2,1H3
    Show/Hide
InChIKey
HHXDJDWQQPSWHW-UHFFFAOYSA-N
Physicochemical Property
logP
0.8325
Rotatable Bonds
1
Heavy Atom Count
12
Polar Areas
38.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
12

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 9815331
SID: 14772559
ChEMBL ID
CHEMBL64000
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: PT01913, Muscarinic acetylcholine receptor M1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 23 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 5.6 nM
2 Ki = 22000 nM
Protein ID: PT01310, Muscarinic acetylcholine receptor M1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  3
1
Ki = 4.6 nM
   TI
   LI
   LO
   TS
2
Ki = 21000 nM
   TI
   LI
   LO
   TS
3
Ki = 21379.62 nM
   TI
   LI
   LO
   TS
Protein ID: PT01470, Muscarinic acetylcholine receptor M2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
IC50 = 17 nM
   TI
   LI
   LO
   TS
2
IC50 = 120 nM
   TI
   LI
   LO
   TS
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  3
1
Ki = 2.6 nM
   TI
   LI
   LO
   TS
2
Ki = 2.63 nM
   TI
   LI
   LO
   TS
3
Ki = 7 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 17 nM
2 IC50 = 120 nM
Protein ID: PT01713, Muscarinic acetylcholine receptor M3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 3.6 nM
   TI
   LI
   LO
   TS
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 680 nM
   TI
   LI
   LO
   TS
Protein ID: PT01736, Muscarinic acetylcholine receptor M4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 11 nM
   TI
   LI
   LO
   TS
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
Ki = 4 nM
   TI
   LI
   LO
   TS
2
Ki = 33 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Acetic acid 8-aza-bicyclo[3.2.1]oct-6-yl ester )
Drug Name Acetic acid 8-aza-bicyclo[3.2.1]oct-6-yl ester
Target(s)
Muscarinic acetylcholine receptor M5 (CHRM5)
Inhibitor
Muscarinic acetylcholine receptor M4 (CHRM4)
Inhibitor
Muscarinic acetylcholine receptor M3 (CHRM3)
Inhibitor
Muscarinic acetylcholine receptor M1 (CHRM1)
Inhibitor
Muscarinic acetylcholine receptor M2 (CHRM2)
Inhibitor