CYCLOPENTOLATE HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 6D6X07D6BN
EPA CompTox DTXSID9045390
Parent Compound: CYCLOPENTOLATE

Structure

InChI Key RHKZVMUBMXGOLL-UHFFFAOYSA-N
Smiles CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1.Cl
InChI
InChI=1S/C17H25NO3.ClH/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17;/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H26ClNO3
Molecular Weight 327.85
AlogP 2.18
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 49.77
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 21.0

Pharmacology

Mechanism of Action Action Reference
Muscarinic acetylcholine receptor M3 antagonist ANTAGONIST ISBN PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 87.23-100.24
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 87.23-100.24

Target Conservation

Protein: Muscarinic acetylcholine receptor M3
Description: Muscarinic acetylcholine receptor M3
Organism : Homo sapiens
P20309 ENSG00000133019

Cross References

Resources Reference
ChEBI 4024
ChEMBL CHEMBL1200473
FDA SRS 6D6X07D6BN
Guide to Pharmacology 7153
KEGG C06932
PubChem 22162
SureChEMBL SCHEMBL24612
ZINC ZINC00155531
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