Structure

InChI Key ZFSPFXJSEHCTTR-UHFFFAOYSA-N
Smiles Cl.OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1
InChI
InChI=1S/C19H29NO.ClH/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20;/h1,3-4,9-10,18,21H,2,5-8,11-16H2;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H30ClNO
Molecular Weight 323.91
AlogP 3.94
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 23.47
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 21.0

Pharmacology

Mechanism of Action Action Reference
Muscarinic acetylcholine receptor M1 antagonist ANTAGONIST ISBN PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 81.71-103.36

Target Conservation

Protein: Muscarinic acetylcholine receptor M1

Description: Muscarinic acetylcholine receptor M1

Organism : Homo sapiens

P11229 ENSG00000168539

Cross References

Resources Reference
ChEBI 8449
ChEMBL CHEMBL1761
FDA SRS CQC932Z7YW
Guide to Pharmacology 7280
KEGG C07378
PubChem 207841
SureChEMBL SCHEMBL121684
ZINC ZINC00057455