Structure

InChI Key BGDKAVGWHJFAGW-UHFFFAOYSA-N
Smiles CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1
InChI
InChI=1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H20N2O2
Molecular Weight 284.36
AlogP 2.21
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 53.43
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Mechanism of Action Action Reference
Muscarinic acetylcholine receptor M3 antagonist ANTAGONIST ISBN PubMed PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 75.11-81.94

Target Conservation

Protein: Muscarinic acetylcholine receptor M3

Description: Muscarinic acetylcholine receptor M3

Organism : Homo sapiens

P20309 ENSG00000133019

Cross References

Resources Reference
ChEBI 9757
ChEMBL CHEMBL1200604
DrugBank DB00809
DrugCentral 2774
FDA SRS N0A3Z5XTC6
Human Metabolome Database HMDB0014947
Guide to Pharmacology 7319
KEGG D00397
PharmGKB PA164749389
PubChem 5593
SureChEMBL SCHEMBL23975
ZINC ZINC00057533