| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1999) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| UNII: | HBD503WORO |
Structure
| InChI Key | YNQQEYBLVYAWNX-WLHGVMLRSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C23H23NO5S |
| Molecular Weight | 425.51 |
| AlogP | 4.01 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 0.0 |
| Polar Surface Area | 20.31 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 22.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| ANTAGONIST | Histamine H1 receptor antagonist | ISBN |
| 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
Histamine receptor
|
- | 1 | - | - | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 89 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Dermatitis, Atopic | 3 | D003876 | ClinicalTrials |
| Conjunctivitis, Allergic | 3 | D003233 | ClinicalTrials |
| Rhinitis, Allergic, Perennial | 3 | D012221 | ClinicalTrials |
| Chronic Pain | 3 | D059350 | ClinicalTrials |
| Fractures, Bone | 3 | D050723 | ClinicalTrials |
| Dermatitis | 3 | D003872 | ClinicalTrials |
Related Entries
MCS
Scaffolds
Adverse Reactions
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 31750 |
| ChEMBL | CHEMBL1633 |
| EPA CompTox | DTXSID30892970 |
| FDA SRS | HBD503WORO |
| Guide to Pharmacology | 7206 |
| KEGG | D08105 |
| PubChem | 5282408 |
| SureChEMBL | SCHEMBL8809 |
| ZINC | ZINC00004351 |
CONTENTS