Trade Names: | |
Synonyms: | |
Status: | Approved (1946) |
Entry Type: | Small molecule |
Molecule Category: | Salt |
UNII: | TC2D6JAD40 |
Parent Compound: | DIPHENHYDRAMINE |
InChI Key | PCHPORCSPXIHLZ-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
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 |
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 |
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 |
Resources | Reference |
---|---|
ChEBI | 4637 |
ChEMBL | CHEMBL1620 |
EPA CompTox | DTXSID4020537 |
FDA SRS | TC2D6JAD40 |
KEGG | C07784 |
PubChem | 8980 |
SureChEMBL | SCHEMBL17071 |