Synonyms: | |
Status: | Approved (2016) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | C01CA26 |
UNII: | GN83C131XS |
InChI Key | KWGRBVOPPLSCSI-WPRPVWTQSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C10H15NO |
Molecular Weight | 165.24 |
AlogP | 1.33 |
Hydrogen Bond Acceptor | 2.0 |
Hydrogen Bond Donor | 2.0 |
Number of Rotational Bond | 3.0 |
Polar Surface Area | 32.26 |
Molecular species | BASE |
Aromatic Rings | 1.0 |
Heavy Atoms | 12.0 |
Primary Target | |
---|---|
β2-adrenoceptor |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Phosphatase
|
- | - | - | - | 0 | |
Enzyme
|
- | - | - | - | 0 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Pre-Eclampsia | 3 | D011225 | ClinicalTrials |
Hypotension | 2 | D007022 | ClinicalTrials |
Cognitive Dysfunction | 2 | D060825 | ClinicalTrials |
Hemorrhage | 2 | D006470 | ClinicalTrials |
Blood Coagulation Disorders | 2 | D001778 | ClinicalTrials |
Pain | 1 | D010146 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 299-42-3 |
ChEBI | 15407 |
ChEMBL | CHEMBL211456 |
DrugBank | DB01364 |
DrugCentral | 1024 |
EPA CompTox | DTXSID0022985 |
FDA SRS | GN83C131XS |
Human Metabolome Database | HMDB0015451 |
Guide to Pharmacology | 556 |
KEGG | C01575 |
PharmGKB | PA449466 |
PubChem | 9294 |
SureChEMBL | SCHEMBL4785 |
ZINC | ZINC000000074836 |