| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1946) |
| Entry Type: | Small molecule |
| Molecule Category: | Salt |
| UNII: | TC2D6JAD40 |
| Parent Compound: | DIPHENHYDRAMINE |
Structure
| InChI Key | PCHPORCSPXIHLZ-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C17H22ClNO |
| Molecular Weight | 291.82 |
| AlogP | 3.35 |
| 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 | 19.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 88 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Lupus Erythematosus, Systemic | 3 | D008180 | ClinicalTrials |
| Headache | 3 | D006261 | ClinicalTrials |
| Breast Neoplasms | 2 | D001943 | ClinicalTrials |
| Diabetic Neuropathies | 2 | D003929 | ClinicalTrials |
| Lymphoma, Large B-Cell, Diffuse | 2 | D016403 | ClinicalTrials |
| Kidney Neoplasms | 2 | D007680 | ClinicalTrials |
| Leukemia, Lymphocytic, Chronic, B-Cell | 1 | D015451 | ClinicalTrials |
| Pain | 1 | D010146 | ClinicalTrials |
| Rhinitis, Allergic, Seasonal | 1 | D006255 | ClinicalTrials |
| Hypotension, Orthostatic | 1 | D007024 | ClinicalTrials |
| Rectal Neoplasms | 1 | D012004 | ClinicalTrials |
| Hypersensitivity | 1 | D006967 | ClinicalTrials |
Related Entries
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 4637 |
| ChEMBL | CHEMBL1620 |
| EPA CompTox | DTXSID4020537 |
| FDA SRS | TC2D6JAD40 |
| KEGG | C07784 |
| PubChem | 8980 |
| SureChEMBL | SCHEMBL17071 |
CONTENTS