| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1998) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | L01DB09 |
| UNII: | 2C6NUM6878 |
Structure
| InChI Key | ZOCKGBMQLCSHFP-KQRAQHLDSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C34H36F3NO13 |
| Molecular Weight | 723.65 |
| AlogP | 2.46 |
| Hydrogen Bond Acceptor | 13.0 |
| Hydrogen Bond Donor | 5.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 215.22 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 51.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transporter
Primary active transporter
ATP-binding cassette
ABCB subfamily
|
- | 24100 | - | - | - | |
|
Transporter
Primary active transporter
ATP-binding cassette
ABCC subfamily
|
- | 36800 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Urinary Bladder Neoplasms | 3 | D001749 | ClinicalTrials |
| Urinary Bladder Neoplasms | 3 | D001749 | ClinicalTrials |
| Carcinoma in Situ | 3 | D002278 | ClinicalTrials |
Related Entries
MCS
Scaffolds
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 56124-62-0 |
| ChEBI | 135876 |
| ChEMBL | CHEMBL1096885 |
| DrugBank | DB00385 |
| DrugCentral | 2805 |
| EPA CompTox | DTXSID9046497 |
| FDA SRS | 2C6NUM6878 |
| PubChem | 454216 |
| SureChEMBL | SCHEMBL12824 |
| ZINC | ZINC000049783788 |
CONTENTS