Synonyms
Status
Molecule Category Free-form
UNII 1O8VSL798T
EPA CompTox DTXSID20163565

Structure

InChI Key XVFJONKUSLSKSW-JTQLQIEISA-N
Smiles C#CCO[C@H]1CN2CCC1CC2
InChI
InChI=1S/C10H15NO/c1-2-7-12-10-8-11-5-3-9(10)4-6-11/h1,9-10H,3-8H2/t10-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H15NO
Molecular Weight 165.24
AlogP 0.73
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 12.47
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 12.0

Pharmacology

Mechanism of Action Action Reference
Muscarinic acetylcholine receptor M1 agonist AGONIST PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
422-849 - - - -

Target Conservation

Protein: Muscarinic acetylcholine receptor M2

Description: Muscarinic acetylcholine receptor M2

Organism : Homo sapiens

P08172 ENSG00000181072
Protein: Muscarinic acetylcholine receptor M1

Description: Muscarinic acetylcholine receptor M1

Organism : Homo sapiens

P11229 ENSG00000168539
Protein: Muscarinic acetylcholine receptor M3

Description: Muscarinic acetylcholine receptor M3

Organism : Homo sapiens

P20309 ENSG00000133019

Cross References

Resources Reference
ChEMBL CHEMBL2111051
DrugBank DB12287
FDA SRS 1O8VSL798T
PubChem 71792
SureChEMBL SCHEMBL195367
ZINC ZINC000001547638