Synonyms: | |
Status: | Approved (1952) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | C04AB01 |
UNII: | Z468598HBV |
InChI Key | MRBDMNSDAVCSSF-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C17H19N3O |
Molecular Weight | 281.36 |
AlogP | 2.84 |
Hydrogen Bond Acceptor | 4.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 4.0 |
Polar Surface Area | 47.86 |
Molecular species | BASE |
Aromatic Rings | 2.0 |
Heavy Atoms | 21.0 |
Primary Target | |
---|---|
α1A-adrenoceptor | |
α1B-adrenoceptor | |
α1D-adrenoceptor |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Ion channel
Voltage-gated ion channel
Voltage-gated sodium channel
|
- | 8400 | - | - | 55 | |
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Adrenergic receptor
|
- | 3-39 | 4-138 | 10-90 | - | |
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Histamine receptor
|
- | 12589 | - | - | - | |
Membrane receptor
|
- | 3-39 | 4-138 | 10-90 | - | |
Other cytosolic protein
|
- | - | - | 11-11 | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Mydriasis | 3 | D015878 | ClinicalTrials |
Presbyopia | 2 | D011305 | ClinicalTrials |
Hypoglycemia | 0 | D007003 | ClinicalTrials |
Obesity | 0 | D009765 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 50-60-2 |
ChEBI | 8081 |
ChEMBL | CHEMBL597 |
DrugBank | DB00692 |
DrugCentral | 2142 |
EPA CompTox | DTXSID4023462 |
FDA SRS | Z468598HBV |
Human Metabolome Database | HMDB0014830 |
Guide to Pharmacology | 502 |
PharmGKB | PA450926 |
PubChem | 5775 |
SureChEMBL | SCHEMBL5653 |
ZINC | ZINC000000020251 |