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 |