Synonyms
Status
Molecule Category Free-form
UNII XJR8Y07LJO

Structure

InChI Key SQKXYSGRELMAAU-UHFFFAOYSA-N
Smiles Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1
InChI
InChI=1S/C20H21N3O/c1-16-22-13-15-23(16)14-12-20(19(21)24,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,13,15H,12,14H2,1H3,(H2,21,24)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H21N3O
Molecular Weight 319.41
AlogP 3.05
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 60.91
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 24.0

Pharmacology

Mechanism of Action Action Reference
Muscarinic acetylcholine receptor M3 antagonist ANTAGONIST PubMed PubMed PubMed

Target Conservation

Protein: Muscarinic acetylcholine receptor M3

Description: Muscarinic acetylcholine receptor M3

Organism : Homo sapiens

P20309 ENSG00000133019

Cross References

Resources Reference
ChEBI 134720
ChEMBL CHEMBL53366
DrugBank DB09262
DrugCentral 4902
FDA SRS XJR8Y07LJO
PubChem 6433090
SureChEMBL SCHEMBL929680
ZINC ZINC000000007368