Synonyms: | |
Status: | Approved (2004) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
UNII: | 0EB439235F |
InChI Key | LERNTVKEWCAPOY-USXSHJJOSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C19H22NO4S2+ |
Molecular Weight | 392.52 |
AlogP | 2.35 |
Hydrogen Bond Acceptor | 6.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 4.0 |
Polar Surface Area | 59.06 |
Molecular species | NEUTRAL |
Aromatic Rings | 2.0 |
Heavy Atoms | 26.0 |
Primary Target | |
---|---|
M3 receptor |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Acetylcholine receptor
|
- | - | - | 0 | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Pulmonary Disease, Chronic Obstructive | 3 | D029424 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 186691-13-4 |
ChEBI | 90960 |
ChEMBL | CHEMBL1900528 |
DrugBank | DB01409 |
FDA SRS | 0EB439235F |
Guide to Pharmacology | 367 |
PDB | 0HK |
SureChEMBL | SCHEMBL4662461 |
ZINC | ZINC000100008319 |