| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | R05DA07 |
| UNII: | 8V32U4AOQU |
Structure
| InChI Key | AKNNEGZIBPJZJG-MSOLQXFVSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C22H23NO7 |
| Molecular Weight | 413.43 |
| AlogP | 2.88 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 75.69 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 30.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Structural protein
|
- | - | 1860 | - | 44 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | 2600 | - | - | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC47 family of multidrug and toxin extrusion transporters
|
- | 34500 | - | - | 13 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Multiple Myeloma | 1 | D009101 | ClinicalTrials |
| Leukemia, Lymphocytic, Chronic, B-Cell | 1 | D015451 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 128-62-1 |
| ChEBI | 73237 |
| ChEMBL | CHEMBL364713 |
| DrugBank | DB06174 |
| DrugCentral | 1973 |
| EPA CompTox | DTXSID4023385 |
| FDA SRS | 8V32U4AOQU |
| Human Metabolome Database | HMDB0033439 |
| Guide to Pharmacology | 10212 |
| KEGG | C09592 |
| PubChem | 275196 |
| SureChEMBL | SCHEMBL4559 |
| ZINC | ZINC000019418974 |
CONTENTS