Structure

InChI Key WRJPSSPFHGNBMG-UHFFFAOYSA-N
Smile CC(=O)OC1CN2CCC1CC2
InChI
InChI=1S/C9H15NO2/c1-7(11)12-9-6-10-4-2-8(9)3-5-10/h8-9H,2-6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H15NO2
Molecular Weight 169.22
AlogP 0.64
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 29.54
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 12.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 3.02-16.46
Enzyme Transferase
- - - - 31.5
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
10000 120-2427 - 114000-130000 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Presbyopia 2 D011305 ClinicalTrials

Cross References

Resources Reference
ChEBI 93847
ChEMBL CHEMBL20835
DrugBank DB13262
DrugCentral 4314
EPA CompTox DTXSID2045658
FDA SRS 0578K3ELIO
PubChem 1979
SureChEMBL SCHEMBL121393