Synonyms: | |
Status: | Approved (1996) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | R06AX26 |
UNII: | E6582LOH6V |
InChI Key | RWTNPBWLLIMQHL-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C32H39NO4 |
Molecular Weight | 501.67 |
AlogP | 5.51 |
Hydrogen Bond Acceptor | 4.0 |
Hydrogen Bond Donor | 3.0 |
Number of Rotational Bond | 10.0 |
Polar Surface Area | 81.0 |
Molecular species | ZWITTERION |
Aromatic Rings | 3.0 |
Heavy Atoms | 37.0 |
Property Name | Value | Unit | Method |
---|---|---|---|
log P (octanol-water) | 2.810 | - | EST |
Atmospheric OH Rate Constant | 1.38E-10 | cm3/molecule-sec | EST |
Melting Point | 142.5 | deg C | EXP |
Primary Target | |
---|---|
H1 receptor |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Ion channel
Other ion channel
Pore-forming toxins (proteins and peptides)
|
- | - | - | - | 0 | |
Ion channel
Voltage-gated ion channel
Potassium channels
Voltage-gated potassium channel
|
- | 21380-65000 | - | 23000 | 3 | |
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Histamine receptor
|
- | 15-78 | - | 27 | - | |
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 29 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Hypersensitivity | 4 | D006967 | ClinicalTrials |
Asthma | 3 | D001249 | ClinicalTrials |
Rhinitis, Allergic, Seasonal | 3 | D006255 | ClinicalTrials |
Rhinitis, Allergic, Perennial | 2 | D012221 | ClinicalTrials |
Edema | 2 | D004487 | ClinicalTrials |
Dermatitis, Atopic | 2 | D003876 | ClinicalTrials |
Gastroesophageal Reflux | 2 | D005764 | ClinicalTrials |
Carcinoma, Non-Small-Cell Lung | 1 | D002289 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 83799-24-0 |
ChEBI | 5050 |
ChEMBL | CHEMBL914 |
DrugBank | DB00950 |
DrugCentral | 1170 |
EPA CompTox | DTXSID00861411 |
FDA SRS | E6582LOH6V |
Human Metabolome Database | HMDB0005030 |
Guide to Pharmacology | 4819 |
KEGG | C06999 |
PharmGKB | PA449621 |
PubChem | 3348 |
SureChEMBL | SCHEMBL4900 |