| Synonyms: | |
| Status: | Approved (1999) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | EDN2NBH5SS |
Structure
| InChI Key | NDAUXUAQIAJITI-LBPRGKRZSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H21NO3 |
| Molecular Weight | 239.31 |
| AlogP | 1.31 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 72.72 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 17.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Adrenergic receptor
|
145-457 | - | - | 3802-5623 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Asthma | 3 | D001249 | ClinicalTrials |
| Pulmonary Disease, Chronic Obstructive | 3 | D029424 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 34391-04-3 |
| ChEBI | 8746 |
| ChEMBL | CHEMBL1002 |
| DrugBank | DB13139 |
| DrugCentral | 1575 |
| EPA CompTox | DTXSID80187964 |
| FDA SRS | EDN2NBH5SS |
| Guide to Pharmacology | 9816 |
| KEGG | C11770 |
| PDB | 68H |
| SureChEMBL | SCHEMBL4003 |
| ZINC | ZINC000000007601 |
CONTENTS