Synonyms: | |
Status: | Approved (1999) |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
UNII: | EDN2NBH5SS |
InChI Key | NDAUXUAQIAJITI-LBPRGKRZSA-N |
---|---|
Smile | |
InChI |
|
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 |
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 | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Asthma | 3 | D001249 | ClinicalTrials |
Pulmonary Disease, Chronic Obstructive | 3 | D029424 | ClinicalTrials |
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 |