Structure

InChI Key VXPCQISYVPFYRK-UHFFFAOYSA-N
Smiles CCN(CC)C(C)CN1c2ccccc2Sc2ccccc21.Cl
InChI
InChI=1S/C19H24N2S.ClH/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21;/h6-13,15H,4-5,14H2,1-3H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H25ClN2S
Molecular Weight 348.94
AlogP 5.02
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 6.48
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
Muscarinic acetylcholine receptor M1 antagonist ANTAGONIST ISBN PubMed Wikipedia Wikipedia
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 60.6-85.68

Target Conservation

Protein: Muscarinic acetylcholine receptor M1

Description: Muscarinic acetylcholine receptor M1

Organism : Homo sapiens

P11229 ENSG00000168539

Cross References

Resources Reference
ChEBI 31568
ChEMBL CHEMBL1200970
FDA SRS O00T1I1VRN
Guide to Pharmacology 7181
KEGG D08426
PubChem 3290
SureChEMBL SCHEMBL123703
ZINC ZINC00056651