| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1959) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | V04CX01 |
| UNII: | IX6J1063HV |
Structure
| InChI Key | BDBMLMBYCXNVMC-UHFFFAOYSA-O |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C43H47N2NaO6S2 |
| Molecular Weight | 774.98 |
| AlogP | 8.71 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 14.0 |
| Polar Surface Area | 117.82 |
| Molecular species | ACID |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 53.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| None | Diagnostic agent | FDA |
| 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
|
- | - | - | - | 100 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Hirschsprung Disease | 3 | D006627 | ClinicalTrials |
| Stomach Neoplasms | 3 | D013274 | ClinicalTrials |
| Retinal Perforations | 3 | D012167 | ClinicalTrials |
| Periodontal Diseases | 3 | D010510 | ClinicalTrials |
| Endometrial Neoplasms | 3 | D016889 | ClinicalTrials |
| Stomach Neoplasms | 3 | D013274 | ClinicalTrials |
| Periodontitis | 2 | D010518 | ClinicalTrials |
| Breast Neoplasms | 2 | D001943 | ClinicalTrials |
| Breast Neoplasms | 2 | D001943 | ClinicalTrials |
| Lung Neoplasms | 1 | D008175 | ClinicalTrials |
| Head and Neck Neoplasms | 1 | D006258 | ClinicalTrials |
| Lymphedema | 1 | D008209 | ClinicalTrials |
| Melanoma | 1 | D008545 | ClinicalTrials |
| Brain Neoplasms | 1 | D001932 | ClinicalTrials |
| Lung Neoplasms | 1 | D008175 | ClinicalTrials |
| Arthritis, Rheumatoid | 1 | D001172 | ClinicalTrials |
| Carcinoma, Non-Small-Cell Lung | 1 | D002289 | ClinicalTrials |
| Carcinoma, Renal Cell | 1 | D002292 | ClinicalTrials |
| Inflammatory Breast Neoplasms | 0 | D058922 | ClinicalTrials |
Related Entries
Scaffolds
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 31696 |
| ChEMBL | CHEMBL1646 |
| DrugBank | DB16024 |
| EPA CompTox | DTXSID2023145 |
| FDA SRS | IX6J1063HV |
| Guide to Pharmacology | 4844 |
| PubChem | 19190 |
| SureChEMBL | SCHEMBL23630 |
| ZINC | ZINC85536937 |
| ChEMBL | CHEMBL1201304 |
| EPA CompTox | DTXSID9048279 |
| FDA SRS | C4V974V932 |
| Guide to Pharmacology | 4844 |
| PubChem | 19190 |
| SureChEMBL | SCHEMBL15544158 |
| ZINC | ZINC85536937 |
CONTENTS