Structure

InChI Key TWHNMSJGYKMTRB-VEIFNGETSA-N
Smiles Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1.O=C(O)C(O)C(O)C(=O)O
InChI
InChI=1S/C22H31NO.C4H6O6/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24;5-1(3(7)8)2(6)4(9)10/h6-12,15-17,20,24H,13-14H2,1-5H3;1-2,5-6H,(H,7,8)(H,9,10)/t20-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H37NO7
Molecular Weight 475.58
AlogP 5.34
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 23.47
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

Mechanism of Action Action Reference
Muscarinic acetylcholine receptor M2 antagonist ANTAGONIST PubMed DailyMed Wikipedia

Target Conservation

Protein: Muscarinic acetylcholine receptor M2

Description: Muscarinic acetylcholine receptor M2

Organism : Homo sapiens

P08172 ENSG00000181072
Protein: Muscarinic acetylcholine receptor M3

Description: Muscarinic acetylcholine receptor M3

Organism : Homo sapiens

P20309 ENSG00000133019

Cross References

Resources Reference
ChEBI 9622
ChEMBL CHEMBL1722209
FDA SRS 5T619TQR3R
KEGG C07750
PubChem 443878
SureChEMBL SCHEMBL36881
ZINC ZINC00968336