Synonyms: | |
Status: | Approved (2004) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | G04BD10 |
UNII: | APG9819VLM |
InChI Key | HXGBXQDTNZMWGS-RUZDIDTESA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C28H30N2O2 |
Molecular Weight | 426.56 |
AlogP | 3.96 |
Hydrogen Bond Acceptor | 3.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 7.0 |
Polar Surface Area | 55.56 |
Molecular species | BASE |
Aromatic Rings | 3.0 |
Heavy Atoms | 32.0 |
Primary Target | |
---|---|
M3 receptor |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Auxiliary transport protein
Slow voltage-gated potassium channel accessory protein family
|
- | 19953 | - | - | - | |
Ion channel
Voltage-gated ion channel
Potassium channels
Voltage-gated potassium channel
|
- | 79-1585 | - | - | - | |
Ion channel
Voltage-gated ion channel
Voltage-gated sodium channel
|
- | 1585 | - | - | - | |
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Acetylcholine receptor
|
11-45 | - | 16 | 1-1 | - | |
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Adrenergic receptor
|
1-16 | 316 | - | 16-61 | - | |
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Dopamine receptor
|
- | 25119 | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Urinary Incontinence | 4 | D014549 | ClinicalTrials |
Urinary Bladder, Overactive | 3 | D053201 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 133099-04-4 |
ChEBI | 391960 |
ChEMBL | CHEMBL1346 |
DrugBank | DB00496 |
DrugCentral | 784 |
EPA CompTox | DTXSID2048290 |
FDA SRS | APG9819VLM |
Human Metabolome Database | HMDB0014639 |
Guide to Pharmacology | 321 |
PharmGKB | PA164774901 |
PubChem | 444031 |
SureChEMBL | SCHEMBL56574 |
ZINC | ZINC000001996117 |