| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1982) |
| Entry Type: | Small molecule |
| Molecule Category: | Salt |
| UNII: | OLH94387TE |
| Parent Compound: | DILTIAZEM |
Structure
| InChI Key | HDRXZJPWHTXQRI-BHDTVMLSSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C22H27ClN2O4S |
| Molecular Weight | 450.99 |
| AlogP | 3.37 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 59.08 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 29.0 |
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
|
- | - | - | - | 27 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Heart Failure | 3 | D006333 | ClinicalTrials |
| Fissure in Ano | 3 | D005401 | ClinicalTrials |
| Skin Diseases | 1 | D012871 | ClinicalTrials |
| HIV Infections | 1 | D015658 | ClinicalTrials |
| Constipation | 1 | D003248 | ClinicalTrials |
| Colorectal Neoplasms | 0 | D015179 | ClinicalTrials |
Related Entries
Scaffolds
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 645509 |
| ChEMBL | CHEMBL1697 |
| EPA CompTox | DTXSID8040147 |
| FDA SRS | OLH94387TE |
| Guide to Pharmacology | 2298 |
| KEGG | C06958 |
| PubChem | 62920 |
| SureChEMBL | SCHEMBL20394103 |
| ZINC | ZINC00621893 |
CONTENTS