General Information of the Compound
Compound ID
CP0377860
Compound Name
8-azabicyclo[3.2.1]octan-6-yl propanoate
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Synonyms
CHEMBL310558
Propionic acid 8-aza-bicyclo[3.2.1]oct-6-yl ester
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Structure
Formula
C10H17NO2
Molecular Weight
183.251
Canonical SMILES
CCC(=O)OC1CC2CCCC1N2
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InChI
InChI=1S/C10H17NO2/c1-2-10(12)13-9-6-7-4-3-5-8(9)11-7/h7-9,11H,2-6H2,1H3
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InChIKey
GSTSHGWHXRRCHO-UHFFFAOYSA-N
Physicochemical Property
logP
1.2226
Rotatable Bonds
2
Heavy Atom Count
13
Polar Areas
38.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
13

"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: 44318851
ChEMBL ID
CHEMBL310558
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 190 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)  2
1
Ki = 190 nM
   TI
   LI
   LO
   TS
2
Ki = 3100 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 = 11400 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 = 85 nM
   TI
   LI
   LO
   TS
2
Ki = 660 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Propionic acid 8-aza-bicyclo[3.2.1]oct-6-yl ester )
Drug Name Propionic acid 8-aza-bicyclo[3.2.1]oct-6-yl ester
Target(s)
Muscarinic acetylcholine receptor M4 (CHRM4)
Inhibitor
Muscarinic acetylcholine receptor M3 (CHRM3)
Inhibitor
Muscarinic acetylcholine receptor M1 (CHRM1)
Inhibitor
Muscarinic acetylcholine receptor M2 (CHRM2)
Inhibitor