Structure

InChI Key RNAICSBVACLLGM-GNAZCLTHSA-N
Smiles CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C.Cl
InChI
InChI=1S/C11H16N2O2.ClH/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2;/h5,7-8,10H,3-4,6H2,1-2H3;1H/t8-,10-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H17ClN2O2
Molecular Weight 244.72
AlogP 1.16
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 44.12
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 15.0

Pharmacology

Mechanism of Action Action Reference
Muscarinic acetylcholine receptor M1 agonist AGONIST PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 1.99-20.03
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Electrophorus electricus
- - - - 20.03
Equus caballus
- - - - 1.99

Target Conservation

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
ChEBI 141029
ChEMBL CHEMBL1200330
FDA SRS 0WW6D218XJ
PubChem 5909
SureChEMBL SCHEMBL21643740