| Synonyms: | |
| Status: | Approved (1977) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | D04AA14 |
| UNII: | 95QN29S1ID |
Structure
| InChI Key | YNNUSGIPVFPVBX-NHCUHLMSSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C21H26ClNO |
| Molecular Weight | 343.9 |
| AlogP | 5.1 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 12.47 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 24.0 |
Pharmacology
| Primary Target | |
|---|---|
| H1 receptor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | 4900 | - | - | 79 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Angioedema | 3 | D000799 | ClinicalTrials |
| Dermatitis | 3 | D003872 | ClinicalTrials |
| Urticaria | 2 | D014581 | ClinicalTrials |
| Optic Neuritis | 2 | D009902 | ClinicalTrials |
| Multiple Sclerosis, Relapsing-Remitting | 2 | D020529 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 15686-51-8 |
| ChEBI | 3738 |
| ChEMBL | CHEMBL1626 |
| DrugBank | DB00283 |
| DrugCentral | 671 |
| EPA CompTox | DTXSID2022832 |
| FDA SRS | 95QN29S1ID |
| Human Metabolome Database | HMDB0014428 |
| Guide to Pharmacology | 6063 |
| KEGG | C06913 |
| PharmGKB | PA164776997 |
| PubChem | 26987 |
| SureChEMBL | SCHEMBL4178 |
| ZINC | ZINC000000402830 |
CONTENTS