Structure

InChI Key SQKXYSGRELMAAU-UHFFFAOYSA-N
Smile 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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Urinary Bladder, Overactive 3 D053201 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 170105-16-5
ChEBI 134720
ChEMBL CHEMBL53366
DrugBank DB09262
DrugCentral 4902
FDA SRS XJR8Y07LJO
PubChem 6433090
SureChEMBL SCHEMBL929680
ZINC ZINC000000007368