Structure

InChI Key RXZMMZZRUPYENV-VROPFNGYSA-N
Smiles O=C(O)CCC(=O)O.O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1
InChI
InChI=1S/C23H26N2O2.C4H6O4/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19;5-3(6)1-2-4(7)8/h1-9,18,21-22H,10-16H2;1-2H2,(H,5,6)(H,7,8)/t21-,22-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H32N2O6
Molecular Weight 480.56
AlogP 3.86
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 32.78
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Mechanism of Action Action Reference
Muscarinic acetylcholine receptor M2 antagonist ANTAGONIST ISBN PubMed PubMed Wikipedia
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 63.5-573.7 - - -

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 32151
ChEMBL CHEMBL1200803
FDA SRS KKA5DLD701
PharmGKB PA164783810
SureChEMBL SCHEMBL109333