| Synonyms: | |
| Status: | Approved (2003) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | G04CA01 |
| UNII: | 90347YTW5F |
| InChI Key | WNMJYKCGWZFFKR-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C19H27N5O4 |
| Molecular Weight | 389.46 |
| AlogP | 1.35 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 111.83 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 28.0 |
| Primary Target | |
|---|---|
| α1A-adrenoceptor | |
| α1B-adrenoceptor | |
| α1D-adrenoceptor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | 18 | - | - | - | |
|
Ion channel
Voltage-gated ion channel
Potassium channels
Voltage-gated potassium channel
|
- | 12589-19953 | - | - | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Adrenergic receptor
|
- | - | 219 | 3-12 | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | 14870 | - | - | - |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Prostatic Hyperplasia | 4 | D011470 | ClinicalTrials |
| Prostatitis | 3 | D011472 | ClinicalTrials |
| Urinary Bladder, Neurogenic | 3 | D001750 | ClinicalTrials |
| Urinary Retention | 3 | D016055 | ClinicalTrials |
| Kidney Calculi | 3 | D007669 | ClinicalTrials |
| Multiple Sclerosis | 2 | D009103 | ClinicalTrials |
| Constipation | 2 | D003248 | ClinicalTrials |
| Resources | Reference |
|---|---|
| CAS NUMBER | 81403-80-7 |
| ChEBI | 51141 |
| ChEMBL | CHEMBL709 |
| DrugBank | DB00346 |
| DrugCentral | 115 |
| EPA CompTox | DTXSID6048549 |
| FDA SRS | 90347YTW5F |
| Human Metabolome Database | HMDB0014490 |
| Guide to Pharmacology | 7109 |
| PharmGKB | PA164774795 |
| PubChem | 2092 |
| SureChEMBL | SCHEMBL34477 |